A0A087Y5H1_POEFO Loading...

Fibronectin type III and SPRY domain containing 1-like

AlphaFold DB , UniProt , Accession A0A087Y5H1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low38Very low249 Ų249151.5 Ų151.5100%1.22781%0.813SS**  0104.30-82.2-172.4-91.600108
2A30.8Very low39.1Very low96 Ų96144.4 Ų144.479%0.79379%0.792SS**PPolyproline II helixtrans-93.7145.1171.500000108.8
3P34.3Very low39.6Very low106 Ų106139.6 Ų139.669%0.68877%0.769SS**PPolyproline II helixtrans-74.4129.5-172.929.9-31.8000110.7
4A32.3Very low40.5Very low101 Ų101132.6 Ų132.684%0.83574%0.735SS**PPolyproline II helixtrans-76.7118.3168.700000109.1
5F37Very low41.4Very low192 Ų192137.7 Ų137.784%0.84275%0.751SS**PPolyproline II helixtrans-77.4123.6168.5-70.9-85.7000108.9
6R38.4Very low42.3Very low244 Ų244136.3 Ų136.392%0.92174%0.742SS**  trans-100105.5174.4-149-178-169.9-173.73.4107.7A8R6-A8 PolarHBondContact O-N 3.47Å
7M36.8Very low42.6Very low153 Ų153137.8 Ų137.875%0.75475%0.746SS**  trans-78.7114.7166.8-72-174.3-133.500107.8E27M7-E27 HydrophobicContact SD-CG 4.25Å
8A40.6Very low43.2Very low85 Ų85134.7 Ų134.770%0.70274%0.737SS**  trans-102.2112.3173.300000108.4R6 R10R6-A8 PolarHBondContact O-N 3.47Å; A8-R10 PolarHBondContact O-N 3.19Å
9T42.4Very low43.2Very low97 Ų97134.8 Ų134.860%0.59573%0.731SS**PPolyproline II helixtrans-74.2122173.147.70000108.7
10R46.5Very low43.3Very low234 Ų234137.4 Ų137.488%0.88374%0.736SS**PPolyproline II helixtrans-99.8119.7166.5-76-171.5177.5179.40.1108A8 A12A8-R10 PolarHBondContact O-N 3.19Å; R10-A12 PolarHBondContact O-N 3.41Å
11P42.5Very low43.4Very low109 Ų109135.3 Ų135.371%0.70873%0.728SS**PPolyproline II helixtrans-67.3131.9172.125.6-29.6000109.5
12A50.7Low43.9Very low67 Ų67127.7 Ų127.755%0.55470%0.695SS**EExtended strand (participates in β ladder)trans-105.9134167.500000108.3R10R10-A12 PolarHBondContact O-N 3.41Å
13V46.2Very low44.8Very low82 Ų82128.4 Ų128.450%0.49769%0.686SS.*EExtended strand (participates in β ladder)trans-104.6135.1-176.3-177.70000108M17V13-M17 HydrophobicContact CG1-CB 4.45Å; V13-M17 HydrophobicContact CG1-CG 3.83Å
14S51.3Low45.5Very low42 Ų42129.4 Ų129.429%0.29468%0.68SS.*  trans-65.2145.5171.570.70000109.9N16 M17S14-N16 PolarHBondContact O-N 3.39Å; S14-N16 PolarHBondContact OG-OD1 3.14Å; S14-M17 PolarHBondContact O-N 3.29Å
15E54.8Low46.3Very low209 Ų209128 Ų12898%0.97766%0.663SS**THydrogen-bonded Turntrans-57.5-12.5-172.6-68-177.6159.500115.1
16N55.3Low47.1Very low114 Ų114121.3 Ų121.361%0.6165%0.648SS**THydrogen-bonded Turntrans-108.88.7177.4676.1000115S14 S18S14-N16 PolarHBondContact O-N 3.39Å; S14-N16 PolarHBondContact OG-OD1 3.14Å; N16-S18 VanDerWaalsContact CG-OG 3.28Å; N16-S18 PolarHBondContact ND2-OG 3.21Å; N16-S18 PolarHBondContact O-N 3.45Å; N16-S18 PolarHBondContact OD1-N 3.5Å; N16-S18 PolarHBondContact OD1-OG 3.25Å
17M47.6Very low48Very low162 Ų162112.5 Ų112.580%0.79862%0.618SS**SBendtrans48.325.5178.9-63-149.5-69.700116.1V13 S14V13-M17 HydrophobicContact CG1-CB 4.45Å; V13-M17 HydrophobicContact CG1-CG 3.83Å; S14-M17 PolarHBondContact O-N 3.29Å
18S52.7Low48.6Very low83 Ų83112.2 Ų112.258%0.5861%0.612SS**  trans-97.8-12.5-175.661.80000114.3N16N16-S18 VanDerWaalsContact CG-OG 3.28Å; N16-S18 PolarHBondContact ND2-OG 3.21Å; N16-S18 PolarHBondContact O-N 3.45Å; N16-S18 PolarHBondContact OD1-N 3.5Å; N16-S18 PolarHBondContact OD1-OG 3.25Å
19Q43.9Very low49.1Very low136 Ų136111 Ų11164%0.63660%0.602SS**  trans-144.3131.5176.9-69.1-174.2-14.400111.8
20F45.3Very low49.4Very low187 Ų187108.3 Ų108.382%0.8259%0.594SS**EExtended strand (participates in β ladder)trans-85.5111.9164.9-72.6-88.2000108.3
21T46.1Very low49.4Very low94 Ų94103 Ų10358%0.57758%0.582SS**EExtended strand (participates in β ladder)trans-120.3126.8169.522.50000108.8
22V47.1Very low49.6Very low89 Ų89104.4 Ų104.454%0.53958%0.583SS.*  trans-89.5113.8174.5-174.60000107F24V22-F24 HydrophobicContact CB-CE2 3.78Å; V22-F24 HydrophobicContact CB-CZ 3.86Å; V22-F24 HydrophobicContact CG1-CD1 4.32Å; V22-F24 HydrophobicContact CG1-CD2 4.33Å; V22-F24 HydrophobicContact CG1-CE1 3.72Å; V22-F24 HydrophobicContact CG1-CE2 3.74Å; V22-F24 HydrophobicContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact O-CD2 3.31Å; V22-F24 WeakPolarHBondContact O-CD2 3.35Å
23D48.6Very low49.4Very low111 Ų111111.5 Ų111.559%0.59460%0.596SS**  trans-83.1116.4176.9-177.36.3000109.9S25D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.01Å; D23-S25 PolarHBondContact OD1-OG 3.45Å; D23-S25 PolarHBondContact OD2-OG 3.3Å; D23-S25 VanDerWaalsContact OD2-OG 3.05Å
24F48.5Very low49.2Very low127 Ų127113 Ų11356%0.55760%0.6SS**  trans-102.612.7179.5-63.3-77.3000113.2V22 G26 E27 K28V22-F24 HydrophobicContact CB-CE2 3.78Å; V22-F24 HydrophobicContact CB-CZ 3.86Å; V22-F24 HydrophobicContact CG1-CD1 4.32Å; V22-F24 HydrophobicContact CG1-CD2 4.33Å; V22-F24 HydrophobicContact CG1-CE1 3.72Å; V22-F24 HydrophobicContact CG1-CE2 3.74Å; V22-F24 HydrophobicContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact O-CD2 3.31Å; V22-F24 WeakPolarHBondContact O-CD2 3.35Å; F24-G26 VanDerWaalsContact C-N 3.27Å; F24-G26 PolarHBondContact O-N 3.44Å; F24-E27 WeakPolarHBondContact CA-OE2 3.42Å; F24-E27 PolarHBondContact O-N 3.36Å; F24-K28 WeakPolarHBondContact O-CB 3.12Å; F24-K28 PolarHBondContact O-N 3.23Å; F24-K28 VanDerWaalsContact O-N 3.08Å
25S50.8Low48.8Very low71 Ų71118.3 Ų118.350%0.49763%0.625SS.*Hα-helixtrans-64-31.8-175.959.60000112.8D23 A29D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.01Å; D23-S25 PolarHBondContact OD1-OG 3.45Å; D23-S25 PolarHBondContact OD2-OG 3.3Å; D23-S25 VanDerWaalsContact OD2-OG 3.05Å; S25-A29 PolarHBondContact O-N 3.08Å
26G52.9Low48.1Very low51 Ų51116.9 Ų116.953%0.52662%0.616SS.*Hα-helixtrans-69.2-44.9176.400000113.6F24 A29 G30F24-G26 VanDerWaalsContact C-N 3.27Å; F24-G26 PolarHBondContact O-N 3.44Å; G26-A29 PolarHBondContact O-N 3.05Å; G26-G30 PolarHBondContact O-N 2.71Å
27E56.8Low46.8Very low59 Ų59119 Ų11928%0.27663%0.627SS.*Hα-helixtrans-68.2-36.7178.3-66.282176.300111.3M7 F24 A29 G30 L31M7-E27 HydrophobicContact SD-CG 4.25Å; F24-E27 WeakPolarHBondContact CA-OE2 3.42Å; F24-E27 PolarHBondContact O-N 3.36Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-A29 PolarHBondContact O-N 3.32Å; E27-G30 PolarHBondContact O-N 3.46Å; E27-G30 VanDerWaalsContact O-N 3.14Å; E27-L31 PolarHBondContact O-N 2.83Å
28K49.1Very low46.2Very low147 Ų147117.1 Ų117.164%0.63963%0.626SS**Hα-helixtrans-63.5-36.5175.1-168.3175-178.51780112.1F24 G30 L32F24-K28 WeakPolarHBondContact O-CB 3.12Å; F24-K28 PolarHBondContact O-N 3.23Å; F24-K28 VanDerWaalsContact O-N 3.08Å; K28-G30 VanDerWaalsContact C-N 3.34Å; K28-L32 WeakPolarHBondContact O-CG 3.31Å; K28-L32 PolarHBondContact O-N 3.15Å
29A51.9Low45.2Very low59 Ų59117 Ų11749%0.48864%0.639SS.*Hα-helixtrans-70.4-29.717400000112.8S25 G26 E27S25-A29 PolarHBondContact O-N 3.08Å; G26-A29 PolarHBondContact O-N 3.05Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-A29 PolarHBondContact O-N 3.32Å
30G49.3Very low44.5Very low41 Ų41118.8 Ų118.842%0.42365%0.647SS.*Hα-helixtrans-71.2-40.7174.600000113.4G26 E27 K28 R33G26-G30 PolarHBondContact O-N 2.71Å; E27-G30 PolarHBondContact O-N 3.46Å; E27-G30 VanDerWaalsContact O-N 3.14Å; K28-G30 VanDerWaalsContact C-N 3.34Å; G30-R33 PolarHBondContact O-N 2.91Å
31L46.7Very low43.9Very low123 Ų123118.5 Ų118.564%0.64465%0.645SS**Hα-helixtrans-68.4-34178.1-77.7164000112.9E27 R33 L34E27-L31 PolarHBondContact O-N 2.83Å; L31-R33 PolarHBondContact O-N 3.08Å; L31-L34 HydrophobicContact CD2-CD1 4.35Å; L31-L34 PolarHBondContact O-N 2.95Å
32L47Very low43.4Very low138 Ų138119.7 Ų119.772%0.72366%0.655SS**THydrogen-bonded Turntrans-72.3-6.3176.5-70.8171.5000114.1K28K28-L32 WeakPolarHBondContact O-CG 3.31Å; K28-L32 PolarHBondContact O-N 3.15Å
33R46.6Very low42.8Very low217 Ų217126.9 Ų126.982%0.81967%0.672SS**THydrogen-bonded Turntrans-96.4-5176.5-79.2-175.8152.7-168.4-5114.3G30 L31 N35G30-R33 PolarHBondContact O-N 2.91Å; L31-R33 PolarHBondContact O-N 3.08Å; R33-N35 PolarHBondContact O-N 3.14Å
34L40.8Very low42Very low112 Ų112127.5 Ų127.559%0.58668%0.683SS**  trans-85.886.3178.2-68.9168.4000110.4L31 F36L31-L34 HydrophobicContact CD2-CD1 4.35Å; L31-L34 PolarHBondContact O-N 2.95Å; L34-F36 HydrophobicContact CB-CE2 4.29Å; L34-F36 PolarHBondContact O-N 2.86Å
35N43.1Very low41.2Very low155 Ų155126.5 Ų126.583%0.82969%0.692SS**  trans-78.9107.5171.5-74.9-36.3000110.3R33R33-N35 PolarHBondContact O-N 3.14Å
36F39.4Very low40.3Very low179 Ų179128.4 Ų128.479%0.78571%0.705SS**  trans-99.3103.4165.2-75.3-83.1000110.4L34L34-F36 HydrophobicContact CB-CE2 4.29Å; L34-F36 PolarHBondContact O-N 2.86Å
37L29.6Very low39.3Very low158 Ų158137.9 Ų137.983%0.82773%0.725SS**SBendtrans86.6160158.6-51.9177000118.1
38P34.6Very low38.2Very low122 Ų122144.7 Ų144.779%0.79276%0.756SS**  -118.4155.1-102.619.94.5000114.8
39G31.5Very low37.2Very low82 Ų82141.3 Ų141.385%0.84576%0.763SS**  trans63.412014200000120.9
40Q29.3Very low36.1Very low172 Ų172146 Ų14680%0.80478%0.779SS**  trans-81.1139.7171.3-72.9-166.8-8.600114.8
41K33Very low35.2Very low181 Ų181148.7 Ų148.779%0.78779%0.792SS**  trans70158.7137.1-79.6178.9-178.71730120.1
42P34.6Very low34.6Very low120 Ų120153.9 Ų153.978%0.77981%0.805SS**  cis-136.5177.122.337.6-16.4000118.2
43R34.6Very low34.1Very low239 Ų239155 Ų15590%0.90281%0.811SS**  trans-60.6159.2170.4-72.7179.5176.7179.9-2112.5
44P32.1Very low33.6Very low125 Ų125155.8 Ų155.881%0.81282%0.815SS**  -132.3168.8117.536-25.1000114.5
45S30.8Very low33.5Very low106 Ų106158.4 Ų158.474%0.74183%0.828SS**  trans-76148.5-169.146.50000116.4
46S33.4Very low33.4Very low110 Ų110159.1 Ų159.177%0.76983%0.831SS**  trans10.8131.4152.165.70000120.6
47R30.3Very low33.2Very low251 Ų251157 Ų15795%0.94783%0.833SS**  -152.5139.1128.1-107.5176.3-158.6-160.24.5110.9
48H34.3Very low33.7Very low201 Ų201152.6 Ų152.693%0.93183%0.825SS**  trans-55.8146.3173.3-74.5-20.8000113.1
49G28.7Very low34.3Very low76 Ų76151.5 Ų151.578%0.78482%0.821SS**  trans-168.6117.2165.800000109.3
50N28.4Very low35.2Very low157 Ų157155.2 Ų155.284%0.8482%0.82SS**  trans-66.9172.6-171.6-81.2-31.5000115.3
51S29.5Very low36.7Very low99 Ų99152.6 Ų152.669%0.69281%0.807SS**  trans84.8104.5143.655.20000118.8D53S51-D53 PolarHBondContact O-N 2.85Å
52Y34.9Very low38.8Very low231 Ų231146 Ų14691%0.90678%0.783SS**  12.8102.9124.1-56.5-82.2000115.5
53D36.8Very low41.2Very low161 Ų161144.3 Ų144.386%0.86177%0.771SS**  -177.2153120.7-119.5-24.8000111.1S51S51-D53 PolarHBondContact O-N 2.85Å
54R35.4Very low43.9Very low235 Ų235133.1 Ų133.189%0.88773%0.729SS**  trans93.456.8-175.7-55.6-173179.2179.60.1116.2
55L38.9Very low46.7Very low167 Ų167135.4 Ų135.487%0.87472%0.721SS**  -77.8144.3129.5-75.9166000108
56L41.8Very low49.7Very low170 Ų170131.9 Ų131.989%0.8970%0.698SS**  trans89.760.5176.3-50.9165.3000116.8
57T34.3Very low52.7Low135 Ų135126.9 Ų126.983%0.82866%0.663SS**  trans-103.4111131.944.30000106.5S59T57-S59 PolarHBondContact O-N 2.91Å; T57-S59 VanDerWaalsContact O-N 3.14Å
58G40.3Very low55.8Low64 Ų64120.7 Ų120.766%0.6665%0.645SS**  trans-51.2120.8-179.200000110.5L60G58-L60 PolarHBondContact O-N 2.83Å
59S47.5Very low58.8Low100 Ų100111.7 Ų111.770%0.69960%0.604SS**  trans-66.680.8156.3172.80000106T57 F61T57-S59 PolarHBondContact O-N 2.91Å; T57-S59 VanDerWaalsContact O-N 3.14Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 2.84Å
60L51.1Low62.1Low160 Ų160109 Ų10984%0.83857%0.571SS**  trans-47.6108.7158.9-87.5149.6000104.8G58 S62G58-L60 PolarHBondContact O-N 2.83Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.37Å
61F60.4Low65.2Low117 Ų117105.7 Ų105.751%0.51356%0.556SS.*  trans-57.799.9172.5-66.8-82.5000106.3S59 V63 A151S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 2.84Å; F61-V63 PolarHBondContact O-N 3.18Å; F61-A151 HydrophobicContact CB-CB 3.25Å; F61-A151 HydrophobicContact CD1-CB 4.49Å; F61-A151 HydrophobicContact CD2-CB 3.73Å; F61-A151 HydrophobicContact CG-CB 3.6Å
62S77.1Confident68.2Low41 Ų41106.1 Ų106.129%0.28756%0.56SS.*PPolyproline II helixtrans-60129179.337.50000107.4L60 D91 G92 N149L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.37Å; S62-D91 PolarHBondContact OG-O 2.71Å; S62-G92 WeakPolarHBondContact OG-CA 3.18Å; S62-G92 PolarHBondContact OG-N 3.41Å; S62-N149 PolarHBondContact O-ND2 3.39Å
63V84.8Confident71Confident86 Ų8697.6 Ų97.652%0.52153%0.534SS..PPolyproline II helixtrans-62.9129179.7-178.50000107.5F61 R65 A152F61-V63 PolarHBondContact O-N 3.18Å; V63-R65 PolarHBondContact O-N 3.28Å; V63-A152 HydrophobicContact CG1-CB 4.24Å; V63-A152 HydrophobicContact CG2-CB 3.88Å
64P90.4Very high73.8Confident4 Ų491 Ų913%0.02650%0.5CS..PPolyproline II helixtrans-58.8141179.3-26.637.3000111.5I94 A147 N149 G154P64-I94 HydrophobicContact CB-CG1 4.19Å; P64-A147 HydrophobicContact CB-CB 3.57Å; P64-A147 HydrophobicContact CG-CB 4.45Å; P64-N149 HydrophobicContact CG-CB 3.94Å; P64-G154 VanDerWaalsContact O-CA 3.24Å; P64-G154 WeakPolarHBondContact O-CA 3.24Å
65R91.6Very high76.4Confident173 Ų17383 Ų8365%0.65347%0.474SS*.PPolyproline II helixtrans-74.4152.8174.6-174.7165.7174.9-169.12.2110.6V63 S88V63-R65 PolarHBondContact O-N 3.28Å; R65-S88 VanDerWaalsContact CD-OG 3.27Å; R65-S88 WeakPolarHBondContact CD-OG 3.35Å
66A94.1Very high78.7Confident31 Ų3177.5 Ų77.526%0.25645%0.447SS..PPolyproline II helixtrans-55.1126.9175.800000111S88 D155A66-S88 WeakPolarHBondContact O-CB 3.17Å; A66-D155 HydrophobicContact CB-CB 4.46Å
67P95.8Very high80.3Confident5 Ų574.7 Ų74.73%0.03243%0.425CS..PPolyproline II helixtrans-67.2164.8172.5-1528.8000111.9W85 R86 Y97 V145 A147 S157P67-W85 HydrophobicContact CB-CB 4.44Å; P67-W85 HydrophobicContact CB-CG 4.33Å; P67-R86 WeakPolarHBondContact CB-O 3.48Å; P67-Y97 HydrophobicContact CG-CD1 3.95Å; P67-Y97 HydrophobicContact CG-CE1 3.85Å; P67-V145 HydrophobicContact CB-CG1 3.93Å; P67-V145 HydrophobicContact CG-CG1 4.16Å; P67-A147 HydrophobicContact CG-CB 3.99Å; P67-S157 WeakPolarHBondContact O-CB 3.31Å
68E96.5Very high82Confident122 Ų12270.6 Ų70.657%0.5740%0.398SS*.EExtended strand (participates in β ladder)trans-110.4123.4175.9-170.8-176.117800110.3D70 W85 R86E68-D70 PolarHBondContact O-N 3.5Å; E68-W85 CarbonylContact O-C 3.56Å; E68-W85 WeakPolarHBondContact O-CA 3.27Å; E68-W85 VanDerWaalsContact O-CB 3.25Å; E68-W85 WeakPolarHBondContact O-CB 3.45Å; E68-R86 PolarHBondContact N-O 3.13Å; E68-R86 PolarHBondContact O-N 2.93Å
69I97.3Very high83.8Confident12 Ų1268.6 Ų68.66%0.06237%0.372CS..EExtended strand (participates in β ladder)trans-72122.9177.1-63.7180000109.3V71 V83 V143 V145 V160I69-V71 HydrophobicContact CG2-CG2 4.41Å; I69-V71 PolarHBondContact O-N 3.03Å; I69-V71 VanDerWaalsContact O-N 3.13Å; I69-V83 HydrophobicContact CD1-CG1 4.43Å; I69-V83 HydrophobicContact CG2-CG1 4.19Å; I69-V143 HydrophobicContact CD1-CG2 3.74Å; I69-V145 HydrophobicContact CD1-CG1 4.26Å; I69-V145 HydrophobicContact CG1-CG1 3.79Å; I69-V160 HydrophobicContact CB-CG2 3.95Å; I69-V160 HydrophobicContact CD1-CB 4.27Å; I69-V160 HydrophobicContact CD1-CG2 4.01Å; I69-V160 HydrophobicContact CG1-CG2 4.49Å; I69-V160 HydrophobicContact CG2-CB 4.46Å; I69-V160 HydrophobicContact CG2-CG2 4.08Å
70D96.6Very high85.6Confident19 Ų1965.4 Ų65.410%0.10235%0.349CS..  trans-84.685.6173.9-175.4-0.3000109.6E68 S72 S73 C74 T84 R86E68-D70 PolarHBondContact O-N 3.5Å; D70-S72 PolarHBondContact O-N 2.66Å; D70-S72 PolarHBondContact OD1-N 2.86Å; D70-S72 PolarHBondContact OD1-OG 3.36Å; D70-S73 VanDerWaalsContact CG-OG 3.27Å; D70-S73 PolarHBondContact O-N 2.78Å; D70-S73 PolarHBondContact OD1-N 3.31Å; D70-S73 WeakPolarHBondContact OD2-CB 3.45Å; D70-S73 PolarHBondContact OD2-OG 2.77Å; D70-C74 PolarHBondContact O-N 2.79Å; D70-C74 PolarHBondContact O-SG 3.4Å; D70-T84 PolarHBondContact N-O 2.77Å; D70-R86 IonicContact OD1-NH2 3.15Å; D70-R86 PolarHBondContact OD1-NH2 2.94Å; D70-R86 VanDerWaalsContact OD1-NH2 3.15Å; D70-R86 IonicContact OD2-CZ 3.57Å; D70-R86 IonicContact OD2-NE 3.65Å; D70-R86 IonicContact OD2-NH2 2.83Å; D70-R86 PolarHBondContact OD2-NH2 3.42Å
71V94.2Very high87.6Confident87 Ų8757.8 Ų57.853%0.52731%0.309SS..G310 helixtrans-55.3-35.4-178-172.20000111.9I69 S73 C74 V160I69-V71 HydrophobicContact CG2-CG2 4.41Å; I69-V71 PolarHBondContact O-N 3.03Å; I69-V71 VanDerWaalsContact O-N 3.13Å; V71-S73 PolarHBondContact O-N 3.47Å; V71-C74 WeakPolarHBondContact O-CB 3.46Å; V71-C74 PolarHBondContact O-N 3Å; V71-V160 HydrophobicContact CG1-CG1 4.45Å; V71-V160 HydrophobicContact CG2-CG1 3.84Å; V71-V160 HydrophobicContact CG2-CG2 4.16Å
72S92.8Very high89.3Confident109 Ų10953.4 Ų53.476%0.76229%0.292SS*.G310 helixtrans-68.8-23.3-179.5710000113.6D70D70-S72 PolarHBondContact O-N 2.66Å; D70-S72 PolarHBondContact OD1-N 2.86Å; D70-S72 PolarHBondContact OD1-OG 3.36Å
73S94.3Very high90.3Very high52 Ų5251.4 Ų51.436%0.36428%0.279SS..G310 helixtrans-99.80.9177.6-61.30000112.7D70 V71 T84D70-S73 VanDerWaalsContact CG-OG 3.27Å; D70-S73 PolarHBondContact O-N 2.78Å; D70-S73 PolarHBondContact OD1-N 3.31Å; D70-S73 WeakPolarHBondContact OD2-CB 3.45Å; D70-S73 PolarHBondContact OD2-OG 2.77Å; V71-S73 PolarHBondContact O-N 3.47Å; S73-T84 PolarHBondContact O-OG1 3.17Å; S73-T84 VanDerWaalsContact O-OG1 3.09Å
74C94.1Very high90.9Very high22 Ų2248.4 Ų48.415%0.14926%0.26CS..  trans-84.2146.3175-66.60000110.5D70 V71 T82 T84 M162D70-C74 PolarHBondContact O-N 2.79Å; D70-C74 PolarHBondContact O-SG 3.4Å; V71-C74 WeakPolarHBondContact O-CB 3.46Å; V71-C74 PolarHBondContact O-N 3Å; C74-T82 CarbonylContact C-O 3.58Å; C74-T82 VanDerWaalsContact CA-O 3.22Å; C74-T82 WeakPolarHBondContact CA-O 3.44Å; C74-T82 WeakPolarHBondContact CB-O 3.25Å; C74-T84 PolarHBondContact SG-N 2.95Å; C74-T84 VanDerWaalsContact SG-N 3.38Å; C74-M162 HydrophobicContact CB-CE 3.72Å; C74-M162 HydrophobicContact CB-SD 4.09Å
75I90.5Very high91.3Very high67 Ų6748.4 Ų48.434%0.34426%0.26SS..EExtended strand (participates in β ladder)trans-132123.9-176.1-50.1177000109.6R77 I81 T82I75-R77 HydrophobicContact CG2-CG 3.93Å; I75-I81 CarbonylContact O-C 3.53Å; I75-I81 WeakPolarHBondContact O-CA 3.2Å; I75-T82 PolarHBondContact N-O 3.2Å; I75-T82 PolarHBondContact O-N 3.33Å
76V86.9Confident91.5Very high52 Ų5245.6 Ų45.632%0.31525%0.249SC..EExtended strand (participates in β ladder)trans-108.9109.5173.6-175.80000108.4I81 F136 M162 T164V76-I81 HydrophobicContact CG1-CG1 4.14Å; V76-I81 HydrophobicContact CG2-CG1 4.17Å; V76-I81 HydrophobicContact CG2-CG2 4.42Å; V76-F136 HydrophobicContact CG1-CE2 3.63Å; V76-F136 HydrophobicContact CG1-CZ 3.61Å; V76-M162 HydrophobicContact CG2-CB 3.96Å; V76-M162 HydrophobicContact CG2-SD 3.98Å; V76-T164 HydrophobicContact CG1-CG2 4.26Å
77R75.9Confident91.4Very high111 Ų11147.1 Ų47.142%0.41926%0.257SS..EExtended strand (participates in β ladder)trans-160.2154.8177.460.6-178.3156.1-176-8.2110.6I75 N79 C80I75-R77 HydrophobicContact CG2-CG 3.93Å; R77-N79 VanDerWaalsContact C-N 3.34Å; R77-N79 PolarHBondContact O-N 3.15Å; R77-C80 PolarHBondContact N-O 2.97Å; R77-C80 CarbonylContact O-C 3.57Å; R77-C80 VanDerWaalsContact O-CA 3.3Å; R77-C80 WeakPolarHBondContact O-CA 3.01Å; R77-C80 WeakPolarHBondContact O-CB 3.49Å; R77-C80 PolarHBondContact O-N 2.97Å
78D69.3Low90.9Very high49 Ų4948.5 Ų48.526%0.26227%0.266SS..THydrogen-bonded Turntrans53.541.7169.1-55.8-43.9000115.8C80 S366 T367D78-C80 PolarHBondContact O-N 2.84Å; D78-C80 PolarHBondContact O-SG 3.17Å; D78-S366 PolarHBondContact N-O 2.89Å; D78-S366 VanDerWaalsContact N-O 3.14Å; D78-S366 VanDerWaalsContact OD1-C 3.31Å; D78-T367 WeakPolarHBondContact OD1-CB 3.34Å; D78-T367 PolarHBondContact OD1-N 2.99Å
79N77.8Confident89.6Confident22 Ų2250.4 Ų50.412%0.11828%0.28CS..THydrogen-bonded Turntrans56.423.5-174.6-82.4-18.5000113.4R77 G133 L134 Y363 C364R77-N79 VanDerWaalsContact C-N 3.34Å; R77-N79 PolarHBondContact O-N 3.15Å; N79-G133 PolarHBondContact O-N 3.38Å; N79-L134 WeakPolarHBondContact CB-O 3.45Å; N79-L134 PolarHBondContact ND2-O 3.25Å; N79-L134 WeakPolarHBondContact O-CB 3.45Å; N79-L134 PolarHBondContact O-N 3.23Å; N79-L134 PolarHBondContact OD1-O 3.2Å; N79-L134 VanDerWaalsContact OD1-O 3.11Å; N79-Y363 PolarHBondContact ND2-O 3.09Å; N79-Y363 VanDerWaalsContact ND2-O 3.07Å; N79-C364 WeakPolarHBondContact ND2-CB 3.18Å; N79-C364 PolarHBondContact ND2-O 3.19Å; N79-C364 WeakPolarHBondContact OD1-CB 2.9Å; N79-C364 PolarHBondContact OD1-SG 2.57Å
80C86.3Confident88.1Confident32 Ų3251.8 Ų51.822%0.21630%0.297CS..EExtended strand (participates in β ladder)trans-126.2147.3179.3-60.20000109.9R77 D78 T130 L131R77-C80 PolarHBondContact N-O 2.97Å; R77-C80 CarbonylContact O-C 3.57Å; R77-C80 VanDerWaalsContact O-CA 3.3Å; R77-C80 WeakPolarHBondContact O-CA 3.01Å; R77-C80 WeakPolarHBondContact O-CB 3.49Å; R77-C80 PolarHBondContact O-N 2.97Å; D78-C80 PolarHBondContact O-N 2.84Å; D78-C80 PolarHBondContact O-SG 3.17Å; C80-T130 HydrophobicContact CB-CG2 4.01Å; C80-L131 CarbonylContact C-O 3.56Å; C80-L131 WeakPolarHBondContact CA-O 3.38Å; C80-L131 VanDerWaalsContact CB-O 3.31Å; C80-L131 WeakPolarHBondContact CB-O 3.48Å
81I92.7Very high86.5Confident0 Ų058.7 Ų58.70%033%0.334CS..EExtended strand (participates in β ladder)trans-129.5110.4174-62.9179.7000107.2I75 V76 V83 T130 L131 L134 F136 I141 M162 T164I75-I81 CarbonylContact O-C 3.53Å; I75-I81 WeakPolarHBondContact O-CA 3.2Å; V76-I81 HydrophobicContact CG1-CG1 4.14Å; V76-I81 HydrophobicContact CG2-CG1 4.17Å; V76-I81 HydrophobicContact CG2-CG2 4.42Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; I81-T130 WeakPolarHBondContact O-CA 3.08Å; I81-L131 HydrophobicContact CB-CB 4.22Å; I81-L131 HydrophobicContact CB-CD1 4.21Å; I81-L131 HydrophobicContact CB-CG 4.48Å; I81-L131 PolarHBondContact N-O 2.75Å; I81-L131 PolarHBondContact O-N 2.86Å; I81-L134 HydrophobicContact CB-CD1 4.12Å; I81-L134 HydrophobicContact CD1-CD1 3.69Å; I81-L134 HydrophobicContact CG1-CD1 3.71Å; I81-F136 HydrophobicContact CD1-CE1 4.15Å; I81-F136 HydrophobicContact CD1-CZ 4.45Å; I81-F136 HydrophobicContact CG1-CE1 4.07Å; I81-F136 HydrophobicContact CG1-CZ 4.01Å; I81-I141 HydrophobicContact CD1-CB 3.52Å; I81-I141 HydrophobicContact CD1-CG1 3.69Å; I81-I141 HydrophobicContact CD1-CG2 3.79Å; I81-M162 HydrophobicContact CD1-CB 4.46Å; I81-M162 HydrophobicContact CG2-CE 3.96Å; I81-M162 HydrophobicContact CG2-SD 3.25Å; I81-M162 WeakPolarHBondContact CG2-SD 3.12Å; I81-T164 HydrophobicContact CD1-CG2 4.41Å
82T96.1Very high85.3Confident25 Ų2555.1 Ų55.115%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-84.2113.6168-56.60000107.9C74 I75 V129 T130C74-T82 CarbonylContact C-O 3.58Å; C74-T82 VanDerWaalsContact CA-O 3.22Å; C74-T82 WeakPolarHBondContact CA-O 3.44Å; C74-T82 WeakPolarHBondContact CB-O 3.25Å; I75-T82 PolarHBondContact N-O 3.2Å; I75-T82 PolarHBondContact O-N 3.33Å; T82-V129 WeakPolarHBondContact CA-O 3.49Å; T82-T130 PolarHBondContact OG1-OG1 2.9Å
83V97.9Very high84.8Confident0 Ų053.7 Ų53.70%030%0.303CS..EExtended strand (participates in β ladder)trans-100.2128.1176.3-169.30000108.1I69 I81 W85 L99 Q128 V129 L131 V143 M162I69-V83 HydrophobicContact CD1-CG1 4.43Å; I69-V83 HydrophobicContact CG2-CG1 4.19Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; V83-W85 HydrophobicContact CB-CZ3 4.35Å; V83-W85 HydrophobicContact CG1-CE3 4.15Å; V83-W85 HydrophobicContact CG1-CZ3 4.39Å; V83-W85 WeakPolarHBondContact O-CZ3 3.3Å; V83-L99 HydrophobicContact CB-CD1 3.77Å; V83-L99 HydrophobicContact CG1-CD1 3.86Å; V83-L99 HydrophobicContact CG2-CD1 3.88Å; V83-Q128 CarbonylContact O-C 3.47Å; V83-Q128 WeakPolarHBondContact O-CA 3.26Å; V83-V129 PolarHBondContact N-O 2.85Å; V83-V129 PolarHBondContact O-N 2.9Å; V83-L131 HydrophobicContact CG2-CD1 4.44Å; V83-V143 HydrophobicContact CG1-CG2 4.16Å; V83-V143 HydrophobicContact CG2-CB 4.48Å; V83-V143 HydrophobicContact CG2-CG1 4.08Å; V83-V143 HydrophobicContact CG2-CG2 4.4Å; V83-M162 HydrophobicContact CB-CE 4.27Å; V83-M162 HydrophobicContact CG1-CE 3.96Å; V83-M162 HydrophobicContact CG2-CE 3.77Å
84T98.2Very high84.6Confident22 Ų2253.7 Ų53.714%0.13530%0.298CS..EExtended strand (participates in β ladder)trans-121.9138179.4-53.50000108.4D70 S73 C74 Q128D70-T84 PolarHBondContact N-O 2.77Å; S73-T84 PolarHBondContact O-OG1 3.17Å; S73-T84 VanDerWaalsContact O-OG1 3.09Å; C74-T84 PolarHBondContact SG-N 2.95Å; C74-T84 VanDerWaalsContact SG-N 3.38Å; T84-Q128 HydrophobicContact CG2-CB 4.46Å
85W97.9Very high84.5Confident4 Ų456.3 Ų56.32%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-138.2162.2178.857.991.9000111.8P67 E68 V83 Y97 L99 I124 D126 T127 V129 V145P67-W85 HydrophobicContact CB-CB 4.44Å; P67-W85 HydrophobicContact CB-CG 4.33Å; E68-W85 CarbonylContact O-C 3.56Å; E68-W85 WeakPolarHBondContact O-CA 3.27Å; E68-W85 VanDerWaalsContact O-CB 3.25Å; E68-W85 WeakPolarHBondContact O-CB 3.45Å; V83-W85 HydrophobicContact CB-CZ3 4.35Å; V83-W85 HydrophobicContact CG1-CE3 4.15Å; V83-W85 HydrophobicContact CG1-CZ3 4.39Å; V83-W85 WeakPolarHBondContact O-CZ3 3.3Å; W85-Y97 AromaticContact CD1-CE1 3.89Å; W85-Y97 AromaticContact CE2-CG 3.91Å; W85-Y97 HydrophobicContact CZ2-CD1 4.36Å; W85-Y97 AromaticContact CZ2-CD2 3.94Å; W85-Y97 HydrophobicContact CZ2-CD2 3.94Å; W85-Y97 AromaticContact CZ2-CG 3.78Å; W85-Y97 HydrophobicContact CZ2-CG 3.78Å; W85-Y97 AromaticContact NE1-CD1 3.28Å; W85-Y97 VanDerWaalsContact NE1-CD1 3.28Å; W85-Y97 AromaticContact NE1-CD2 3.76Å; W85-Y97 AromaticContact NE1-CE1 3.3Å; W85-Y97 VanDerWaalsContact NE1-CE1 3.3Å; W85-Y97 AromaticContact NE1-CE2 3.8Å; W85-Y97 AromaticContact NE1-CG 3.52Å; W85-Y97 AromaticContact NE1-CZ 3.58Å; W85-L99 HydrophobicContact CZ3-CD1 4.1Å; W85-I124 HydrophobicContact CH2-CD1 4.23Å; W85-I124 HydrophobicContact CH2-CG2 4.05Å; W85-I124 HydrophobicContact CZ2-CG2 4.13Å; W85-D126 WeakPolarHBondContact CZ2-O 3.47Å; W85-T127 PolarHBondContact N-O 3.32Å; W85-T127 WeakPolarHBondContact O-CB 3.24Å; W85-V129 HydrophobicContact CH2-CB 4.13Å; W85-V129 HydrophobicContact CH2-CG1 4Å; W85-V129 HydrophobicContact CZ3-CB 4.38Å; W85-V129 HydrophobicContact CZ3-CG1 3.93Å; W85-V145 HydrophobicContact CB-CG1 4.09Å; W85-V145 HydrophobicContact CD2-CB 4.45Å; W85-V145 HydrophobicContact CD2-CG1 4.26Å; W85-V145 HydrophobicContact CD2-CG2 3.89Å; W85-V145 HydrophobicContact CE3-CG2 4.24Å; W85-V145 HydrophobicContact CG-CG1 4.03Å; W85-V145 HydrophobicContact CG-CG2 4.32Å; W85-V145 HydrophobicContact CH2-CG2 4.41Å; W85-V145 HydrophobicContact CZ2-CG2 4.06Å; W85-V145 HydrophobicContact CZ3-CG2 4.49Å
86R95.7Very high84.7Confident115 Ų11558.1 Ų58.143%0.43431%0.311SS..EExtended strand (participates in β ladder)trans-104.1131.9171.4-58-173.8-157.3109.64.2108.9P67 E68 D70P67-R86 WeakPolarHBondContact CB-O 3.48Å; E68-R86 PolarHBondContact N-O 3.13Å; E68-R86 PolarHBondContact O-N 2.93Å; D70-R86 IonicContact OD1-NH2 3.15Å; D70-R86 PolarHBondContact OD1-NH2 2.94Å; D70-R86 VanDerWaalsContact OD1-NH2 3.15Å; D70-R86 IonicContact OD2-CZ 3.57Å; D70-R86 IonicContact OD2-NE 3.65Å; D70-R86 IonicContact OD2-NH2 2.83Å; D70-R86 PolarHBondContact OD2-NH2 3.42Å
87P92.2Very high85.2Confident63 Ų6356.2 Ų56.241%0.40930%0.298SS..  trans-57.5142.5167.2-16.528.7000109.3I94 Y97 T127P87-I94 HydrophobicContact CB-CD1 3.89Å; P87-Y97 WeakPolarHBondContact CG-OH 3.22Å; P87-T127 HydrophobicContact CG-CG2 3.8Å
88S85.1Confident86.2Confident33 Ų3351 Ų5123%0.23128%0.278CS..  trans-79.7139.3170.4-179.30000109.5R65 A66 G90R65-S88 VanDerWaalsContact CD-OG 3.27Å; R65-S88 WeakPolarHBondContact CD-OG 3.35Å; A66-S88 WeakPolarHBondContact O-CB 3.17Å; S88-G90 PolarHBondContact O-N 3.15Å
89D69.9Low87.6Confident163 Ų16348.6 Ų48.687%0.87227%0.266SS*.  trans-64.5100.4167.5-64.1-32.7000108.2
90G65.1Low88.5Confident40 Ų4048.9 Ų48.941%0.41227%0.266SS..  trans-141.8159.9-178.600000110.9S88 G92S88-G90 PolarHBondContact O-N 3.15Å; G90-G92 PolarHBondContact O-N 2.97Å; G90-G92 VanDerWaalsContact O-N 3.08Å
91D64.4Low88.9Confident164 Ų16448 Ų4888%0.87726%0.259SS*.SBendtrans-70.2-3.5-172.6-78.6-22.5000114.6S62S62-D91 PolarHBondContact OG-O 2.71Å
92G68.3Low88.9Confident12 Ų1248.4 Ų48.412%0.12426%0.261CS..SBendtrans-110133.7-172.100000113.4S62 G90 I94S62-G92 WeakPolarHBondContact OG-CA 3.18Å; S62-G92 PolarHBondContact OG-N 3.41Å; G90-G92 PolarHBondContact O-N 2.97Å; G90-G92 VanDerWaalsContact O-N 3.08Å; G92-I94 PolarHBondContact O-N 2.88Å
93P82.7Confident88.5Confident79 Ų7950.1 Ų50.151%0.51327%0.266SS..  trans-64128.4175.527.5-33.5000109.5N149P93-N149 WeakPolarHBondContact O-CB 3.46Å
94I89.9Confident87.9Confident52 Ų5250.3 Ų50.327%0.26727%0.267SS..  trans-89.7126.1174-58.3169.1000108.1P64 P87 G92 Y97 A147P64-I94 HydrophobicContact CB-CG1 4.19Å; P87-I94 HydrophobicContact CB-CD1 3.89Å; G92-I94 PolarHBondContact O-N 2.88Å; I94-Y97 HydrophobicContact CD1-CE1 4.46Å; I94-Y97 HydrophobicContact CG2-CD1 4.45Å; I94-Y97 HydrophobicContact CG2-CE1 3.79Å; I94-Y97 HydrophobicContact CG2-CE2 3.97Å; I94-A147 HydrophobicContact CD1-CB 4.06Å; I94-A147 HydrophobicContact CG1-CB 4.02Å; I94-A147 HydrophobicContact CG2-CB 3.85Å
95E90.9Very high87.1Confident78 Ų7854.4 Ų54.436%0.36429%0.289SS..  trans-104.7-39.8177-65.6-165.1174.600112.2R148 K150E95-R148 PolarHBondContact N-O 3.19Å; E95-K150 VanDerWaalsContact OE1-CD 3.3Å; E95-K150 WeakPolarHBondContact OE1-CD 3.42Å; E95-K150 WeakPolarHBondContact OE1-CE 3.17Å; E95-K150 WeakPolarHBondContact OE1-CG 3.46Å; E95-K150 IonicContact OE1-NZ 2.71Å; E95-K150 PolarHBondContact OE1-NZ 2.92Å; E95-K150 WeakPolarHBondContact OE2-CG 3.22Å; E95-K150 IonicContact OE2-NZ 3.92Å
96R95.6Very high86.1Confident104 Ų10459.8 Ų59.839%0.39231%0.314SS..EExtended strand (participates in β ladder)trans-146.6170.4-179.1-58-168.8-175.6-87.3-4.9111.4D123 I124 R148R96-D123 PolarHBondContact NH1-O 2.9Å; R96-D123 VanDerWaalsContact NH1-O 3.12Å; R96-I124 CarbonylContact C-O 3.58Å; R96-I124 WeakPolarHBondContact CA-O 3.45Å; R96-R148 HydrophobicContact CB-CG 3.81Å; R96-R148 PolarHBondContact N-O 2.98Å; R96-R148 VanDerWaalsContact N-O 3.15Å; R96-R148 VanDerWaalsContact O-CG 3.22Å; R96-R148 WeakPolarHBondContact O-CG 3.08Å; R96-R148 PolarHBondContact O-N 2.66Å
97Y97.5Very high84.5Confident12 Ų1256.5 Ų56.55%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-123.9149.9171.8-56.5-89000110.8P67 W85 P87 I94 D123 I124 D126 T127 V145 R146 A147P67-Y97 HydrophobicContact CG-CD1 3.95Å; P67-Y97 HydrophobicContact CG-CE1 3.85Å; W85-Y97 AromaticContact CD1-CE1 3.89Å; W85-Y97 AromaticContact CE2-CG 3.91Å; W85-Y97 HydrophobicContact CZ2-CD1 4.36Å; W85-Y97 AromaticContact CZ2-CD2 3.94Å; W85-Y97 HydrophobicContact CZ2-CD2 3.94Å; W85-Y97 AromaticContact CZ2-CG 3.78Å; W85-Y97 HydrophobicContact CZ2-CG 3.78Å; W85-Y97 AromaticContact NE1-CD1 3.28Å; W85-Y97 VanDerWaalsContact NE1-CD1 3.28Å; W85-Y97 AromaticContact NE1-CD2 3.76Å; W85-Y97 AromaticContact NE1-CE1 3.3Å; W85-Y97 VanDerWaalsContact NE1-CE1 3.3Å; W85-Y97 AromaticContact NE1-CE2 3.8Å; W85-Y97 AromaticContact NE1-CG 3.52Å; W85-Y97 AromaticContact NE1-CZ 3.58Å; P87-Y97 WeakPolarHBondContact CG-OH 3.22Å; I94-Y97 HydrophobicContact CD1-CE1 4.46Å; I94-Y97 HydrophobicContact CG2-CD1 4.45Å; I94-Y97 HydrophobicContact CG2-CE1 3.79Å; I94-Y97 HydrophobicContact CG2-CE2 3.97Å; Y97-D123 PolarHBondContact O-N 3.37Å; Y97-I124 PolarHBondContact N-O 2.96Å; Y97-I124 PolarHBondContact O-N 2.84Å; Y97-D126 WeakPolarHBondContact CD2-O 3.35Å; Y97-T127 HydrophobicContact CE2-CG2 4.29Å; Y97-V145 HydrophobicContact CD1-CG2 4.25Å; Y97-R146 VanDerWaalsContact CA-O 3.26Å; Y97-R146 WeakPolarHBondContact CA-O 3.29Å; Y97-A147 HydrophobicContact CD1-CB 3.98Å; Y97-A147 HydrophobicContact CE1-CB 3.84Å
98D97.7Very high83.1Confident1 Ų155.5 Ų55.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-115.9132.1164.9-65.5-16000107.6K120 I121 S122 D123 V145 R146 R148D98-K120 VanDerWaalsContact CG-NZ 3.33Å; D98-K120 IonicContact OD1-NZ 3.76Å; D98-K120 VanDerWaalsContact OD2-CE 3.24Å; D98-K120 WeakPolarHBondContact OD2-CE 3.47Å; D98-K120 IonicContact OD2-NZ 2.82Å; D98-K120 PolarHBondContact OD2-NZ 2.99Å; D98-I121 CarbonylContact C-O 3.56Å; D98-I121 WeakPolarHBondContact CA-O 3.21Å; D98-S122 WeakPolarHBondContact OD1-CA 3.49Å; D98-S122 WeakPolarHBondContact OD1-CB 3.46Å; D98-D123 PolarHBondContact OD1-N 2.83Å; D98-V145 WeakPolarHBondContact O-CA 3.44Å; D98-R146 HydrophobicContact CB-CG 3.89Å; D98-R146 PolarHBondContact N-O 3.12Å; D98-R146 PolarHBondContact O-N 3.35Å; D98-R146 IonicContact OD2-CZ 3.43Å; D98-R146 IonicContact OD2-NE 3.16Å; D98-R146 PolarHBondContact OD2-NE 3.08Å; D98-R146 VanDerWaalsContact OD2-NE 3.16Å; D98-R146 IonicContact OD2-NH2 2.8Å; D98-R146 PolarHBondContact OD2-NH2 2.94Å; D98-R148 WeakPolarHBondContact OD1-CD 3.28Å; D98-R148 IonicContact OD1-NH1 3.87Å; D98-R148 PolarHBondContact OD1-NH1 3.04Å
99L98Very high81.5Confident0 Ų056.9 Ų56.90%033%0.33CS..EExtended strand (participates in β ladder)trans-112.2136.3173.5-178.3146.9000109.6V83 W85 H101 K120 I121 I124 V129 L131 R144V83-L99 HydrophobicContact CB-CD1 3.77Å; V83-L99 HydrophobicContact CG1-CD1 3.86Å; V83-L99 HydrophobicContact CG2-CD1 3.88Å; W85-L99 HydrophobicContact CZ3-CD1 4.1Å; L99-H101 HydrophobicContact CD2-CB 4.3Å; L99-K120 WeakPolarHBondContact O-CA 3.42Å; L99-I121 PolarHBondContact N-O 2.9Å; L99-I121 PolarHBondContact O-N 3.24Å; L99-I124 HydrophobicContact CB-CD1 3.86Å; L99-V129 HydrophobicContact CB-CG1 4.46Å; L99-V129 HydrophobicContact CD1-CG1 3.67Å; L99-V129 HydrophobicContact CG-CG1 4.49Å; L99-L131 HydrophobicContact CD2-CD1 4.36Å; L99-L131 HydrophobicContact CD2-CD2 3.83Å; L99-R144 WeakPolarHBondContact CA-O 3.19Å
100E97.2Very high80.8Confident27 Ų2756.5 Ų56.513%0.12633%0.327CS..EExtended strand (participates in β ladder)trans-118142.2171.2-71.8-176.7-179.100110.3W118 E119 K120 V143 R144 F156E100-W118 HydrophobicContact CB-CB 4.16Å; E100-W118 HydrophobicContact CB-CD2 4.15Å; E100-W118 HydrophobicContact CB-CE3 3.66Å; E100-W118 HydrophobicContact CB-CG 4.4Å; E100-W118 HydrophobicContact CB-CZ3 4.35Å; E100-W118 HydrophobicContact CG-CB 4.35Å; E100-E119 CarbonylContact C-O 3.59Å; E100-E119 VanDerWaalsContact CA-O 3.28Å; E100-E119 WeakPolarHBondContact CA-O 3.36Å; E100-K120 HydrophobicContact CG-CB 4.24Å; E100-K120 HydrophobicContact CG-CG 4.03Å; E100-V143 CarbonylContact O-C 3.59Å; E100-V143 WeakPolarHBondContact O-CA 3.35Å; E100-R144 HydrophobicContact CB-CG 3.94Å; E100-R144 PolarHBondContact N-O 3.47Å; E100-R144 PolarHBondContact O-N 3.32Å; E100-R144 IonicContact OE2-CZ 3.2Å; E100-R144 IonicContact OE2-NE 2.93Å; E100-R144 PolarHBondContact OE2-NE 2.76Å; E100-R144 IonicContact OE2-NH2 2.66Å; E100-R144 PolarHBondContact OE2-NH2 3.43Å; E100-F156 HydrophobicContact CB-CE1 4.22Å; E100-F156 HydrophobicContact CB-CZ 4.49Å; E100-F156 HydrophobicContact CG-CE1 3.89Å; E100-F156 HydrophobicContact CG-CZ 3.77Å; E100-F156 VanDerWaalsContact OE1-CZ 3.29Å; E100-F156 WeakPolarHBondContact OE1-CZ 3.33Å
101H94.7Very high80.4Confident13 Ų1364 Ų646%0.0634%0.343CS..EExtended strand (participates in β ladder)trans-138.8156.6175.473.6-64.2000111.9L99 E119 L131 L134 I141 V142 V143L99-H101 HydrophobicContact CD2-CB 4.3Å; H101-E119 WeakPolarHBondContact CE1-CB 3.3Å; H101-E119 IonicContact CE1-OE2 3.92Å; H101-E119 PolarHBondContact N-O 3.41Å; H101-E119 PolarHBondContact ND1-O 2.81Å; H101-E119 VanDerWaalsContact ND1-O 3.1Å; H101-E119 IonicContact NE2-OE2 3.04Å; H101-E119 PolarHBondContact O-N 2.84Å; H101-L131 HydrophobicContact CB-CD1 3.85Å; H101-L134 WeakPolarHBondContact NE2-CD2 3.45Å; H101-I141 HydrophobicContact CB-CG2 4.14Å; H101-V142 CarbonylContact C-O 3.57Å; H101-V142 WeakPolarHBondContact CA-O 3.34Å; H101-V143 HydrophobicContact CB-CG1 3.93Å
102R91.9Very high80Confident10 Ų1058.1 Ų58.14%0.03832%0.317CS..EExtended strand (participates in β ladder)trans-155.4157.5174.764.8-177.1-178.4153.912.4111.3E115 W118 I141 V142R102-E115 IonicContact CZ-OE2 2.75Å; R102-E115 IonicContact NH1-OE2 3Å; R102-E115 PolarHBondContact NH1-OE2 3.03Å; R102-E115 IonicContact NH2-OE1 3.97Å; R102-E115 IonicContact NH2-OE2 2.73Å; R102-E115 PolarHBondContact NH2-OE2 2.86Å; R102-W118 HydrophobicContact CB-CD2 4.38Å; R102-W118 HydrophobicContact CB-CE3 4.06Å; R102-W118 HydrophobicContact CB-CZ3 4.46Å; R102-W118 HydrophobicContact CG-CD2 4.12Å; R102-W118 HydrophobicContact CG-CE3 3.81Å; R102-W118 HydrophobicContact CG-CH2 4.06Å; R102-W118 HydrophobicContact CG-CZ2 4.32Å; R102-W118 HydrophobicContact CG-CZ3 3.79Å; R102-W118 VanDerWaalsContact NE-CZ2 3.26Å; R102-I141 CarbonylContact O-C 3.59Å; R102-I141 WeakPolarHBondContact O-CA 3.38Å; R102-V142 HydrophobicContact CG-CB 4.15Å; R102-V142 PolarHBondContact N-O 2.99Å; R102-V142 PolarHBondContact O-N 3.17Å
103K88.4Confident79.1Confident61 Ų6165.1 Ų65.127%0.26536%0.357SS..EExtended strand (participates in β ladder)trans-75.8141.6171.8-69.6173.7179.1-171.20111.3K135 D137 S138 I141K103-K135 WeakPolarHBondContact CE-O 3.45Å; K103-D137 VanDerWaalsContact CD-OD1 3.25Å; K103-D137 WeakPolarHBondContact CD-OD1 3.21Å; K103-D137 WeakPolarHBondContact CE-OD1 3.38Å; K103-D137 IonicContact NZ-OD1 3.74Å; K103-D137 PolarHBondContact NZ-OD1 2.76Å; K103-D137 IonicContact NZ-OD2 3.9Å; K103-D137 PolarHBondContact NZ-OD2 2.89Å; K103-S138 WeakPolarHBondContact CB-OG 3.3Å; K103-I141 HydrophobicContact CB-CD1 4.4Å; K103-I141 HydrophobicContact CG-CD1 3.58Å
104A84.8Confident77.9Confident3 Ų365.1 Ų65.13%0.02537%0.371CS..EExtended strand (participates in β ladder)trans-143.8145.9176.700000112.4P139 F140 V142A104-P139 WeakPolarHBondContact O-CD 3.23Å; A104-F140 HydrophobicContact CB-CB 4.37Å; A104-F140 PolarHBondContact N-O 2.88Å; A104-F140 PolarHBondContact O-N 3.18Å; A104-F140 VanDerWaalsContact O-N 3.12Å; A104-V142 HydrophobicContact CB-CG2 3.57Å
105N81Confident76.7Confident109 Ų10964.8 Ų64.858%0.58337%0.369SS*.SBendtrans-89.3-11.3176.6-68.6-23.3000113.3P139N105-P139 WeakPolarHBondContact O-CG 3.38Å
106H76.8Confident75.7Confident117 Ų11763.7 Ų63.754%0.54237%0.373SS..SBendtrans-133142.3-176.3-50.7-50.4000108.8G108 F140H106-G108 PolarHBondContact O-N 3.12Å; H106-F140 VanDerWaalsContact C-CD2 3.47Å
107G62.8Low75.2Confident45 Ų4561.6 Ų61.646%0.46438%0.383SS..SBendtrans-73.6-2.517700000114A161G107-A161 WeakPolarHBondContact O-CB 3.45Å
108G61.7Low74.9Confident42 Ų4263.8 Ų63.843%0.43339%0.392SS..SBendtrans-83.2143.1-179.700000112.9H106 L110H106-G108 PolarHBondContact O-N 3.12Å; G108-L110 PolarHBondContact O-N 2.86Å
109A52.3Low74.8Confident63 Ų6369.2 Ų69.252%0.52142%0.417SS..SBendtrans-70.3-4.217900000114.9P159A109-P159 HydrophobicContact CB-CG 3.75Å
110L55.7Low74.7Confident154 Ų15473.7 Ų73.781%0.80644%0.436SS*.SBendtrans-79.7128.9-177.4-67.4173.7000110.5G108 A112G108-L110 PolarHBondContact O-N 2.86Å; L110-A112 PolarHBondContact O-N 2.88Å
111R57.1Low74.6Confident199 Ų19975.1 Ų75.175%0.75144%0.444SS*.  trans-58.4106.9173.4-96.9-178.5158.5179.8-5.7110.5E115R111-E115 WeakPolarHBondContact CA-OE2 3.31Å
112A54.6Low74.7Confident39 Ų3976.7 Ų76.732%0.32246%0.457SS..  trans-72.8146.316300000110L110 G114 E115L110-A112 PolarHBondContact O-N 2.88Å; A112-G114 PolarHBondContact O-N 2.78Å; A112-E115 HydrophobicContact CB-CG 4.12Å; A112-E115 PolarHBondContact N-OE1 3.3Å; A112-E115 WeakPolarHBondContact O-CG 3.32Å; A112-E115 PolarHBondContact O-N 2.77Å
113V50.3Low74.8Confident159 Ų15980.1 Ų80.196%0.96448%0.476SS*.THydrogen-bonded Turntrans-61.6120.3175.4178.70000108.5
114G57.9Low75.2Confident80 Ų8078 Ų7883%0.82547%0.468SS*.THydrogen-bonded Turntrans99.99.6178.500000116.4A112A112-G114 PolarHBondContact O-N 2.78Å
115E64.9Low75.7Confident45 Ų4582 Ų8221%0.2149%0.491CS..PPolyproline II helixtrans-65.8142.8175.6-76.4177.9170.300113.6R102 R111 A112R102-E115 IonicContact CZ-OE2 2.75Å; R102-E115 IonicContact NH1-OE2 3Å; R102-E115 PolarHBondContact NH1-OE2 3.03Å; R102-E115 IonicContact NH2-OE1 3.97Å; R102-E115 IonicContact NH2-OE2 2.73Å; R102-E115 PolarHBondContact NH2-OE2 2.86Å; R111-E115 WeakPolarHBondContact CA-OE2 3.31Å; A112-E115 HydrophobicContact CB-CG 4.12Å; A112-E115 PolarHBondContact N-OE1 3.3Å; A112-E115 WeakPolarHBondContact O-CG 3.32Å; A112-E115 PolarHBondContact O-N 2.77Å
116A69.3Low76.4Confident54 Ų5481.8 Ų81.845%0.44649%0.49SS..PPolyproline II helixtrans-58.5150.1175.500000112.1
117G85.1Confident77.4Confident60 Ų6079 Ų7962%0.61948%0.482SS*.PPolyproline II helixtrans-61157.9172.700000112
118W91.8Very high79Confident58 Ų5881.9 Ų81.922%0.2248%0.483CS..PPolyproline II helixtrans-72.3127.9173.9-69.6100.2000110.4E100 R102 V142 R144 P159E100-W118 HydrophobicContact CB-CB 4.16Å; E100-W118 HydrophobicContact CB-CD2 4.15Å; E100-W118 HydrophobicContact CB-CE3 3.66Å; E100-W118 HydrophobicContact CB-CG 4.4Å; E100-W118 HydrophobicContact CB-CZ3 4.35Å; E100-W118 HydrophobicContact CG-CB 4.35Å; R102-W118 HydrophobicContact CB-CD2 4.38Å; R102-W118 HydrophobicContact CB-CE3 4.06Å; R102-W118 HydrophobicContact CB-CZ3 4.46Å; R102-W118 HydrophobicContact CG-CD2 4.12Å; R102-W118 HydrophobicContact CG-CE3 3.81Å; R102-W118 HydrophobicContact CG-CH2 4.06Å; R102-W118 HydrophobicContact CG-CZ2 4.32Å; R102-W118 HydrophobicContact CG-CZ3 3.79Å; R102-W118 VanDerWaalsContact NE-CZ2 3.26Å; W118-V142 HydrophobicContact CH2-CB 4.39Å; W118-V142 HydrophobicContact CH2-CG1 3.85Å; W118-V142 HydrophobicContact CZ3-CG1 4.43Å; W118-V142 WeakPolarHBondContact CZ3-O 3.42Å; W118-R144 HydrophobicContact CE3-CG 4.34Å; W118-R144 HydrophobicContact CH2-CG 3.88Å; W118-R144 HydrophobicContact CZ2-CG 4.44Å; W118-R144 HydrophobicContact CZ3-CG 3.82Å; W118-P159 HydrophobicContact CH2-CB 4.45Å
119E94.6Very high80.8Confident115 Ų11581.2 Ų81.254%0.53747%0.47SS..EExtended strand (participates in β ladder)trans-90.7134.5168.4-70.1-177.1-140.800109.5E100 H101E100-E119 CarbonylContact C-O 3.59Å; E100-E119 VanDerWaalsContact CA-O 3.28Å; E100-E119 WeakPolarHBondContact CA-O 3.36Å; H101-E119 WeakPolarHBondContact CE1-CB 3.3Å; H101-E119 IonicContact CE1-OE2 3.92Å; H101-E119 PolarHBondContact N-O 3.41Å; H101-E119 PolarHBondContact ND1-O 2.81Å; H101-E119 VanDerWaalsContact ND1-O 3.1Å; H101-E119 IonicContact NE2-OE2 3.04Å; H101-E119 PolarHBondContact O-N 2.84Å
120K95.1Very high82.9Confident94 Ų9481.4 Ų81.441%0.40947%0.465SS..EExtended strand (participates in β ladder)trans-116.2136.1-167.8-168.4-175.8-171.9-137.90112.7D98 L99 E100 S122D98-K120 VanDerWaalsContact CG-NZ 3.33Å; D98-K120 IonicContact OD1-NZ 3.76Å; D98-K120 VanDerWaalsContact OD2-CE 3.24Å; D98-K120 WeakPolarHBondContact OD2-CE 3.47Å; D98-K120 IonicContact OD2-NZ 2.82Å; D98-K120 PolarHBondContact OD2-NZ 2.99Å; L99-K120 WeakPolarHBondContact O-CA 3.42Å; E100-K120 HydrophobicContact CG-CB 4.24Å; E100-K120 HydrophobicContact CG-CG 4.03Å; K120-S122 WeakPolarHBondContact CD-OG 3.25Å; K120-S122 WeakPolarHBondContact CE-OG 3.34Å; K120-S122 PolarHBondContact NZ-OG 2.9Å
121I96.6Very high84.7Confident57 Ų5774.2 Ų74.229%0.29243%0.428SS..EExtended strand (participates in β ladder)trans-114.2128.6162.3-55.2-176000107.3D98 L99 I124 L131D98-I121 CarbonylContact C-O 3.56Å; D98-I121 WeakPolarHBondContact CA-O 3.21Å; L99-I121 PolarHBondContact N-O 2.9Å; L99-I121 PolarHBondContact O-N 3.24Å; I121-I124 HydrophobicContact CB-CD1 4.3Å; I121-I124 HydrophobicContact CG2-CD1 3.9Å; I121-I124 HydrophobicContact CG2-CG1 3.92Å; I121-L131 HydrophobicContact CD1-CD2 3.29Å; I121-L131 HydrophobicContact CG1-CD2 4.3Å
122S96Very high86.2Confident47 Ų4769 Ų6933%0.32942%0.422SS..EExtended strand (participates in β ladder)trans-117.3167.8-176.5-53.10000111.2D98 K120 I124D98-S122 WeakPolarHBondContact OD1-CA 3.49Å; D98-S122 WeakPolarHBondContact OD1-CB 3.46Å; K120-S122 WeakPolarHBondContact CD-OG 3.25Å; K120-S122 WeakPolarHBondContact CE-OG 3.34Å; K120-S122 PolarHBondContact NZ-OG 2.9Å; S122-I124 PolarHBondContact O-N 2.77Å
123D94.8Very high87.3Confident82 Ų8270.5 Ų70.544%0.43944%0.441SS..EExtended strand (participates in β ladder)trans63.924.5168.5-56.3-43.9000115.5R96 Y97 D98 R148R96-D123 PolarHBondContact NH1-O 2.9Å; R96-D123 VanDerWaalsContact NH1-O 3.12Å; Y97-D123 PolarHBondContact O-N 3.37Å; D98-D123 PolarHBondContact OD1-N 2.83Å; D123-R148 IonicContact OD1-CZ 3.32Å; D123-R148 IonicContact OD1-NH1 3.91Å; D123-R148 PolarHBondContact OD1-NH1 2.99Å; D123-R148 IonicContact OD1-NH2 3.5Å
124I96.9Very high88.8Confident17 Ų1763.7 Ų63.79%0.08740%0.399CS..EExtended strand (participates in β ladder)trans-68.6130.2177.7-54.3162000109.1W85 R96 Y97 L99 I121 S122 D126 V129W85-I124 HydrophobicContact CH2-CD1 4.23Å; W85-I124 HydrophobicContact CH2-CG2 4.05Å; W85-I124 HydrophobicContact CZ2-CG2 4.13Å; R96-I124 CarbonylContact C-O 3.58Å; R96-I124 WeakPolarHBondContact CA-O 3.45Å; Y97-I124 PolarHBondContact N-O 2.96Å; Y97-I124 PolarHBondContact O-N 2.84Å; L99-I124 HydrophobicContact CB-CD1 3.86Å; I121-I124 HydrophobicContact CB-CD1 4.3Å; I121-I124 HydrophobicContact CG2-CD1 3.9Å; I121-I124 HydrophobicContact CG2-CG1 3.92Å; S122-I124 PolarHBondContact O-N 2.77Å; I124-D126 WeakPolarHBondContact CG2-O 3.47Å; I124-V129 HydrophobicContact CD1-CB 4.06Å; I124-V129 HydrophobicContact CD1-CG1 3.98Å; I124-V129 HydrophobicContact CD1-CG2 4.17Å; I124-V129 HydrophobicContact CG1-CG2 4.43Å; I124-V129 HydrophobicContact CG2-CB 4.4Å
125T95.1Very high89.6Confident85 Ų8566 Ų6652%0.52139%0.386SS..  trans-96.4-30.4178.848.60000113.1
126D96.2Very high90.3Very high105 Ų10564.1 Ų64.156%0.56138%0.377SS*.SBendtrans-80.8165.9179.6-59.9-54.5000111.7W85 Y97 I124 Q128W85-D126 WeakPolarHBondContact CZ2-O 3.47Å; Y97-D126 WeakPolarHBondContact CD2-O 3.35Å; I124-D126 WeakPolarHBondContact CG2-O 3.47Å; D126-Q128 HydrophobicContact CB-CG 4.49Å; D126-Q128 PolarHBondContact O-N 2.81Å
127T96.6Very high90.5Very high58 Ų5865.1 Ų65.136%0.35638%0.375SS..SBendtrans-9120.6173.858.80000112.7W85 P87 Y97W85-T127 PolarHBondContact N-O 3.32Å; W85-T127 WeakPolarHBondContact O-CB 3.24Å; P87-T127 HydrophobicContact CG-CG2 3.8Å; Y97-T127 HydrophobicContact CE2-CG2 4.29Å
128Q97.5Very high90.2Very high107 Ų10763.1 Ų63.150%0.535%0.352SS..EExtended strand (participates in β ladder)trans-149.4151.917463.2174.956.500110.3V83 T84 D126V83-Q128 CarbonylContact O-C 3.47Å; V83-Q128 WeakPolarHBondContact O-CA 3.26Å; T84-Q128 HydrophobicContact CG2-CB 4.46Å; D126-Q128 HydrophobicContact CB-CG 4.49Å; D126-Q128 PolarHBondContact O-N 2.81Å
129V97.9Very high89.6Confident27 Ų2763 Ų6316%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-148.3147.9170.3730000110.1T82 V83 W85 L99 I124T82-V129 WeakPolarHBondContact CA-O 3.49Å; V83-V129 PolarHBondContact N-O 2.85Å; V83-V129 PolarHBondContact O-N 2.9Å; W85-V129 HydrophobicContact CH2-CB 4.13Å; W85-V129 HydrophobicContact CH2-CG1 4Å; W85-V129 HydrophobicContact CZ3-CB 4.38Å; W85-V129 HydrophobicContact CZ3-CG1 3.93Å; L99-V129 HydrophobicContact CB-CG1 4.46Å; L99-V129 HydrophobicContact CD1-CG1 3.67Å; L99-V129 HydrophobicContact CG-CG1 4.49Å; I124-V129 HydrophobicContact CD1-CB 4.06Å; I124-V129 HydrophobicContact CD1-CG1 3.98Å; I124-V129 HydrophobicContact CD1-CG2 4.17Å; I124-V129 HydrophobicContact CG1-CG2 4.43Å; I124-V129 HydrophobicContact CG2-CB 4.4Å
130T96.7Very high89.2Confident67 Ų6759.8 Ų59.841%0.41134%0.343SS..EExtended strand (participates in β ladder)trans-104.7114.9173.9-60.80000110.2C80 I81 T82C80-T130 HydrophobicContact CB-CG2 4.01Å; I81-T130 WeakPolarHBondContact O-CA 3.08Å; T82-T130 PolarHBondContact OG1-OG1 2.9Å
131L93.8Very high88.9Confident3 Ų355.4 Ų55.42%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-70.2128.2162.9-54.5-179000107.5C80 I81 V83 L99 H101 I121 L134 V143C80-L131 CarbonylContact C-O 3.56Å; C80-L131 WeakPolarHBondContact CA-O 3.38Å; C80-L131 VanDerWaalsContact CB-O 3.31Å; C80-L131 WeakPolarHBondContact CB-O 3.48Å; I81-L131 HydrophobicContact CB-CB 4.22Å; I81-L131 HydrophobicContact CB-CD1 4.21Å; I81-L131 HydrophobicContact CB-CG 4.48Å; I81-L131 PolarHBondContact N-O 2.75Å; I81-L131 PolarHBondContact O-N 2.86Å; V83-L131 HydrophobicContact CG2-CD1 4.44Å; L99-L131 HydrophobicContact CD2-CD1 4.36Å; L99-L131 HydrophobicContact CD2-CD2 3.83Å; H101-L131 HydrophobicContact CB-CD1 3.85Å; I121-L131 HydrophobicContact CD1-CD2 3.29Å; I121-L131 HydrophobicContact CG1-CD2 4.3Å; L131-L134 HydrophobicContact CB-CD1 3.7Å; L131-L134 HydrophobicContact CB-CD2 4.38Å; L131-L134 HydrophobicContact CB-CG 4.16Å; L131-L134 HydrophobicContact CD1-CD1 4.21Å; L131-V143 HydrophobicContact CD1-CG1 4.15Å
132S88.4Confident88.8Confident90 Ų9052.8 Ų52.863%0.62931%0.311SS*.  trans-130.3156.6-178.260.70000111L134S132-L134 PolarHBondContact O-N 3.01Å
133G78.6Confident88.8Confident70 Ų7050.6 Ų50.672%0.72230%0.295SS*.SBendtrans69.719.3-179.900000113.9N79N79-G133 PolarHBondContact O-N 3.38Å
134L81Confident88.9Confident17 Ų1749.7 Ų49.79%0.08929%0.285CS..  trans-66.9145176.4-62.1175.6000109.7N79 I81 H101 L131 S132 F136N79-L134 WeakPolarHBondContact CB-O 3.45Å; N79-L134 PolarHBondContact ND2-O 3.25Å; N79-L134 WeakPolarHBondContact O-CB 3.45Å; N79-L134 PolarHBondContact O-N 3.23Å; N79-L134 PolarHBondContact OD1-O 3.2Å; N79-L134 VanDerWaalsContact OD1-O 3.11Å; I81-L134 HydrophobicContact CB-CD1 4.12Å; I81-L134 HydrophobicContact CD1-CD1 3.69Å; I81-L134 HydrophobicContact CG1-CD1 3.71Å; H101-L134 WeakPolarHBondContact NE2-CD2 3.45Å; L131-L134 HydrophobicContact CB-CD1 3.7Å; L131-L134 HydrophobicContact CB-CD2 4.38Å; L131-L134 HydrophobicContact CB-CG 4.16Å; L131-L134 HydrophobicContact CD1-CD1 4.21Å; S132-L134 PolarHBondContact O-N 3.01Å; L134-F136 HydrophobicContact CB-CD1 4.02Å; L134-F136 HydrophobicContact CB-CE1 3.78Å; L134-F136 HydrophobicContact CD1-CE1 3.93Å
135K75.4Confident88.9Confident127 Ų12748.9 Ų48.955%0.55228%0.281SS*.  trans-95.1116163.1-67.9-173.5179.2-174.60107.8K103 D137K103-K135 WeakPolarHBondContact CE-O 3.45Å; K135-D137 HydrophobicContact CB-CB 4.49Å; K135-D137 PolarHBondContact O-N 3.21Å
136F79.4Confident89Confident6 Ų647.6 Ų47.63%0.02627%0.267CS..  trans-78.154.9173-68.7-2.2000110.5V76 I81 L134 S138 T164 A166 T168V76-F136 HydrophobicContact CG1-CE2 3.63Å; V76-F136 HydrophobicContact CG1-CZ 3.61Å; I81-F136 HydrophobicContact CD1-CE1 4.15Å; I81-F136 HydrophobicContact CD1-CZ 4.45Å; I81-F136 HydrophobicContact CG1-CE1 4.07Å; I81-F136 HydrophobicContact CG1-CZ 4.01Å; L134-F136 HydrophobicContact CB-CD1 4.02Å; L134-F136 HydrophobicContact CB-CE1 3.78Å; L134-F136 HydrophobicContact CD1-CE1 3.93Å; F136-S138 VanDerWaalsContact C-N 3.32Å; F136-T164 HydrophobicContact CB-CG2 4.17Å; F136-T164 HydrophobicContact CD1-CG2 3.4Å; F136-T164 VanDerWaalsContact CD1-CG2 3.4Å; F136-T164 HydrophobicContact CD2-CG2 3.88Å; F136-T164 HydrophobicContact CE1-CG2 3.63Å; F136-T164 HydrophobicContact CE2-CG2 4.09Å; F136-T164 HydrophobicContact CG-CG2 3.54Å; F136-T164 HydrophobicContact CZ-CG2 3.97Å; F136-A166 HydrophobicContact CB-CB 3.3Å; F136-A166 HydrophobicContact CD2-CB 4.1Å; F136-A166 HydrophobicContact CG-CB 4.23Å; F136-A166 WeakPolarHBondContact O-CB 3.47Å; F136-T168 VanDerWaalsContact O-CG2 3.27Å; F136-T168 WeakPolarHBondContact O-CG2 3.46Å
137D72.5Confident88.9Confident76 Ų7642.6 Ų42.641%0.40624%0.24SC..  trans-91.64.7178.757.912.3000113K103 K135K103-D137 VanDerWaalsContact CD-OD1 3.25Å; K103-D137 WeakPolarHBondContact CD-OD1 3.21Å; K103-D137 WeakPolarHBondContact CE-OD1 3.38Å; K103-D137 IonicContact NZ-OD1 3.74Å; K103-D137 PolarHBondContact NZ-OD1 2.76Å; K103-D137 IonicContact NZ-OD2 3.9Å; K103-D137 PolarHBondContact NZ-OD2 2.89Å; K135-D137 HydrophobicContact CB-CB 4.49Å; K135-D137 PolarHBondContact O-N 3.21Å
138S78.9Confident88.8Confident18 Ų1843.5 Ų43.513%0.12624%0.237CC..SBendtrans-125.8156.4172.6-57.40000108.3K103 F136 F140 T164K103-S138 WeakPolarHBondContact CB-OG 3.3Å; F136-S138 VanDerWaalsContact C-N 3.32Å; S138-F140 VanDerWaalsContact C-N 3.25Å; S138-F140 PolarHBondContact O-N 3.24Å; S138-T164 PolarHBondContact O-OG1 2.84Å
139P79Confident88.4Confident54 Ų5438.8 Ų38.835%0.35122%0.215SC..SBendtrans-72.2-18.8178.827.6-34.6000113.4A104 N105 T164A104-P139 WeakPolarHBondContact O-CD 3.23Å; N105-P139 WeakPolarHBondContact O-CG 3.38Å; P139-T164 PolarHBondContact O-N 2.92Å; P139-T164 PolarHBondContact O-OG1 3.12Å; P139-T164 VanDerWaalsContact O-OG1 3.08Å
140F86.5Confident87.8Confident49 Ų4945.1 Ų45.122%0.21524%0.241CC..EExtended strand (participates in β ladder)trans-137.2148.6176.8-54.5-82.3000112.9A104 H106 S138 A161 M162 E163 T164A104-F140 HydrophobicContact CB-CB 4.37Å; A104-F140 PolarHBondContact N-O 2.88Å; A104-F140 PolarHBondContact O-N 3.18Å; A104-F140 VanDerWaalsContact O-N 3.12Å; H106-F140 VanDerWaalsContact C-CD2 3.47Å; S138-F140 VanDerWaalsContact C-N 3.25Å; S138-F140 PolarHBondContact O-N 3.24Å; F140-A161 HydrophobicContact CB-CB 4.42Å; F140-A161 HydrophobicContact CD1-CB 4.18Å; F140-A161 HydrophobicContact CG-CB 4.44Å; F140-M162 CarbonylContact C-O 3.55Å; F140-M162 VanDerWaalsContact CA-O 3.23Å; F140-M162 WeakPolarHBondContact CA-O 3.01Å; F140-E163 HydrophobicContact CD1-CB 4.23Å; F140-E163 HydrophobicContact CE1-CB 4.05Å; F140-E163 HydrophobicContact CE1-CG 4.2Å; F140-T164 PolarHBondContact N-OG1 3Å
141I89.9Confident87.1Confident1 Ų144.8 Ų44.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-111.2119.9157.7-60.6-67.4000107.5I81 H101 R102 K103 V143 M162 T164I81-I141 HydrophobicContact CD1-CB 3.52Å; I81-I141 HydrophobicContact CD1-CG1 3.69Å; I81-I141 HydrophobicContact CD1-CG2 3.79Å; H101-I141 HydrophobicContact CB-CG2 4.14Å; R102-I141 CarbonylContact O-C 3.59Å; R102-I141 WeakPolarHBondContact O-CA 3.38Å; K103-I141 HydrophobicContact CB-CD1 4.4Å; K103-I141 HydrophobicContact CG-CD1 3.58Å; I141-V143 HydrophobicContact CG2-CG1 4.15Å; I141-M162 PolarHBondContact N-O 3.23Å; I141-M162 WeakPolarHBondContact O-CB 3.42Å; I141-M162 PolarHBondContact O-N 2.81Å; I141-T164 HydrophobicContact CG1-CG2 3.73Å
142V93.3Very high86.7Confident3 Ų346.1 Ų46.12%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-91.3129.7176.2-174.20000108.6H101 R102 A104 W118 P159 V160 A161H101-V142 CarbonylContact C-O 3.57Å; H101-V142 WeakPolarHBondContact CA-O 3.34Å; R102-V142 HydrophobicContact CG-CB 4.15Å; R102-V142 PolarHBondContact N-O 2.99Å; R102-V142 PolarHBondContact O-N 3.17Å; A104-V142 HydrophobicContact CB-CG2 3.57Å; W118-V142 HydrophobicContact CH2-CB 4.39Å; W118-V142 HydrophobicContact CH2-CG1 3.85Å; W118-V142 HydrophobicContact CZ3-CG1 4.43Å; W118-V142 WeakPolarHBondContact CZ3-O 3.42Å; V142-P159 HydrophobicContact CG1-CB 3.64Å; V142-V160 CarbonylContact C-O 3.58Å; V142-V160 WeakPolarHBondContact CA-O 3.42Å; V142-A161 HydrophobicContact CG2-CB 4.18Å
143V95.9Very high86.8Confident0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-120.6151.9178.9-58.90000111.5I69 V83 E100 H101 L131 I141 P159 V160 M162I69-V143 HydrophobicContact CD1-CG2 3.74Å; V83-V143 HydrophobicContact CG1-CG2 4.16Å; V83-V143 HydrophobicContact CG2-CB 4.48Å; V83-V143 HydrophobicContact CG2-CG1 4.08Å; V83-V143 HydrophobicContact CG2-CG2 4.4Å; E100-V143 CarbonylContact O-C 3.59Å; E100-V143 WeakPolarHBondContact O-CA 3.35Å; H101-V143 HydrophobicContact CB-CG1 3.93Å; L131-V143 HydrophobicContact CD1-CG1 4.15Å; I141-V143 HydrophobicContact CG2-CG1 4.15Å; V143-P159 CarbonylContact O-C 3.55Å; V143-P159 VanDerWaalsContact O-CA 3.32Å; V143-P159 WeakPolarHBondContact O-CA 3.06Å; V143-V160 HydrophobicContact CG2-CB 4.16Å; V143-V160 PolarHBondContact N-O 2.84Å; V143-V160 PolarHBondContact O-N 2.97Å; V143-M162 HydrophobicContact CG1-CE 4.44Å; V143-M162 HydrophobicContact CG2-CE 3.53Å; V143-M162 HydrophobicContact CG2-CG 4.44Å
144R97Very high87.4Confident63 Ų6340.8 Ų40.824%0.23821%0.211CC..EExtended strand (participates in β ladder)trans-148.6147.3168.661.7-177.4-174.2173.62.2110.3L99 E100 W118 F156L99-R144 WeakPolarHBondContact CA-O 3.19Å; E100-R144 HydrophobicContact CB-CG 3.94Å; E100-R144 PolarHBondContact N-O 3.47Å; E100-R144 PolarHBondContact O-N 3.32Å; E100-R144 IonicContact OE2-CZ 3.2Å; E100-R144 IonicContact OE2-NE 2.93Å; E100-R144 PolarHBondContact OE2-NE 2.76Å; E100-R144 IonicContact OE2-NH2 2.66Å; E100-R144 PolarHBondContact OE2-NH2 3.43Å; W118-R144 HydrophobicContact CE3-CG 4.34Å; W118-R144 HydrophobicContact CH2-CG 3.88Å; W118-R144 HydrophobicContact CZ2-CG 4.44Å; W118-R144 HydrophobicContact CZ3-CG 3.82Å; R144-F156 HydrophobicContact CB-CB 4.31Å; R144-F156 HydrophobicContact CB-CD1 4.09Å; R144-F156 HydrophobicContact CG-CB 4.29Å; R144-F156 HydrophobicContact CG-CD1 3.58Å; R144-F156 HydrophobicContact CG-CE1 4.08Å; R144-F156 HydrophobicContact CG-CG 4.03Å
145V97.8Very high88.1Confident0 Ų046.3 Ų46.30%024%0.241CC..EExtended strand (participates in β ladder)trans-126.6144.8-178.164.50000110.6P67 I69 W85 Y97 D98 F156 S157P67-V145 HydrophobicContact CB-CG1 3.93Å; P67-V145 HydrophobicContact CG-CG1 4.16Å; I69-V145 HydrophobicContact CD1-CG1 4.26Å; I69-V145 HydrophobicContact CG1-CG1 3.79Å; W85-V145 HydrophobicContact CB-CG1 4.09Å; W85-V145 HydrophobicContact CD2-CB 4.45Å; W85-V145 HydrophobicContact CD2-CG1 4.26Å; W85-V145 HydrophobicContact CD2-CG2 3.89Å; W85-V145 HydrophobicContact CE3-CG2 4.24Å; W85-V145 HydrophobicContact CG-CG1 4.03Å; W85-V145 HydrophobicContact CG-CG2 4.32Å; W85-V145 HydrophobicContact CH2-CG2 4.41Å; W85-V145 HydrophobicContact CZ2-CG2 4.06Å; W85-V145 HydrophobicContact CZ3-CG2 4.49Å; Y97-V145 HydrophobicContact CD1-CG2 4.25Å; D98-V145 WeakPolarHBondContact O-CA 3.44Å; V145-F156 CarbonylContact O-C 3.6Å; V145-F156 WeakPolarHBondContact O-CA 2.98Å; V145-S157 PolarHBondContact N-OG 2.86Å; V145-S157 VanDerWaalsContact N-OG 3.12Å; V145-S157 WeakPolarHBondContact O-CB 3.3Å; V145-S157 PolarHBondContact O-N 2.86Å
146R96.3Very high89.1Confident59 Ų5942.2 Ų42.222%0.22322%0.223CC..EExtended strand (participates in β ladder)trans-129.6150.1170.266.4177.3-175.2-172.44.1111Y97 D98 G154 D155 F156Y97-R146 VanDerWaalsContact CA-O 3.26Å; Y97-R146 WeakPolarHBondContact CA-O 3.29Å; D98-R146 HydrophobicContact CB-CG 3.89Å; D98-R146 PolarHBondContact N-O 3.12Å; D98-R146 PolarHBondContact O-N 3.35Å; D98-R146 IonicContact OD2-CZ 3.43Å; D98-R146 IonicContact OD2-NE 3.16Å; D98-R146 PolarHBondContact OD2-NE 3.08Å; D98-R146 VanDerWaalsContact OD2-NE 3.16Å; D98-R146 IonicContact OD2-NH2 2.8Å; D98-R146 PolarHBondContact OD2-NH2 2.94Å; R146-G154 WeakPolarHBondContact CD-O 3.35Å; R146-D155 VanDerWaalsContact CB-O 3.3Å; R146-D155 WeakPolarHBondContact CB-O 3.42Å; R146-F156 HydrophobicContact CB-CD1 3.73Å; R146-F156 HydrophobicContact CB-CE1 3.99Å; R146-F156 HydrophobicContact CB-CG 4.06Å; R146-F156 HydrophobicContact CG-CD1 3.92Å; R146-F156 HydrophobicContact CG-CE1 3.63Å; R146-F156 HydrophobicContact CG-CE2 4.45Å; R146-F156 HydrophobicContact CG-CG 4.45Å; R146-F156 HydrophobicContact CG-CZ 3.91Å
147A95.4Very high89.8Confident0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-90151.4170.900000110.9P64 P67 I94 Y97 G154P64-A147 HydrophobicContact CB-CB 3.57Å; P64-A147 HydrophobicContact CG-CB 4.45Å; P67-A147 HydrophobicContact CG-CB 3.99Å; I94-A147 HydrophobicContact CD1-CB 4.06Å; I94-A147 HydrophobicContact CG1-CB 4.02Å; I94-A147 HydrophobicContact CG2-CB 3.85Å; Y97-A147 HydrophobicContact CD1-CB 3.98Å; Y97-A147 HydrophobicContact CE1-CB 3.84Å; A147-G154 PolarHBondContact O-N 2.93Å
148R92.8Very high90.9Very high76 Ų7646.4 Ų46.429%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-141.2151.8175.458.6-177.4-66.9-163.7-6111.7E95 R96 D98 D123 A152 A153E95-R148 PolarHBondContact N-O 3.19Å; R96-R148 HydrophobicContact CB-CG 3.81Å; R96-R148 PolarHBondContact N-O 2.98Å; R96-R148 VanDerWaalsContact N-O 3.15Å; R96-R148 VanDerWaalsContact O-CG 3.22Å; R96-R148 WeakPolarHBondContact O-CG 3.08Å; R96-R148 PolarHBondContact O-N 2.66Å; D98-R148 WeakPolarHBondContact OD1-CD 3.28Å; D98-R148 IonicContact OD1-NH1 3.87Å; D98-R148 PolarHBondContact OD1-NH1 3.04Å; D123-R148 IonicContact OD1-CZ 3.32Å; D123-R148 IonicContact OD1-NH1 3.91Å; D123-R148 PolarHBondContact OD1-NH1 2.99Å; D123-R148 IonicContact OD1-NH2 3.5Å; R148-A152 WeakPolarHBondContact CA-O 3.37Å; R148-A153 HydrophobicContact CB-CB 3.98Å
149N90.3Very high91.6Very high9 Ų947.6 Ų47.65%0.04825%0.249CC..  trans-126.6-174.3173.472.216.5000110.1S62 P64 P93 A151 A152S62-N149 PolarHBondContact O-ND2 3.39Å; P64-N149 HydrophobicContact CG-CB 3.94Å; P93-N149 WeakPolarHBondContact O-CB 3.46Å; N149-A151 PolarHBondContact O-N 2.88Å; N149-A151 PolarHBondContact OD1-N 2.57Å; N149-A152 PolarHBondContact N-O 2.82Å; N149-A152 PolarHBondContact OD1-N 3.48Å; N149-A152 PolarHBondContact OD1-O 2.92Å
150K84.1Confident92.3Very high159 Ų15946.4 Ų46.469%0.69124%0.241SC*.SBendtrans-57.9-28.2179.1-87.7169.1-175.8120.20114.7E95E95-K150 VanDerWaalsContact OE1-CD 3.3Å; E95-K150 WeakPolarHBondContact OE1-CD 3.42Å; E95-K150 WeakPolarHBondContact OE1-CE 3.17Å; E95-K150 WeakPolarHBondContact OE1-CG 3.46Å; E95-K150 IonicContact OE1-NZ 2.71Å; E95-K150 PolarHBondContact OE1-NZ 2.92Å; E95-K150 WeakPolarHBondContact OE2-CG 3.22Å; E95-K150 IonicContact OE2-NZ 3.92Å
151A81.8Confident92.6Very high60 Ų6045.8 Ų45.850%0.49624%0.244SC..SBendtrans-99.5-35.5-172.700000113.1F61 N149F61-A151 HydrophobicContact CB-CB 3.25Å; F61-A151 HydrophobicContact CD1-CB 4.49Å; F61-A151 HydrophobicContact CD2-CB 3.73Å; F61-A151 HydrophobicContact CG-CB 3.6Å; N149-A151 PolarHBondContact O-N 2.88Å; N149-A151 PolarHBondContact OD1-N 2.57Å
152A86.3Confident92.6Very high32 Ų3246.3 Ų46.326%0.26425%0.247SC..  trans-156.5159.2-172.700000113.1V63 R148 N149V63-A152 HydrophobicContact CG1-CB 4.24Å; V63-A152 HydrophobicContact CG2-CB 3.88Å; R148-A152 WeakPolarHBondContact CA-O 3.37Å; N149-A152 PolarHBondContact N-O 2.82Å; N149-A152 PolarHBondContact OD1-N 3.48Å; N149-A152 PolarHBondContact OD1-O 2.92Å
153A91.2Very high92.3Very high41 Ų4151.5 Ų51.534%0.33927%0.271SS..EExtended strand (participates in β ladder)trans-96.9137.1162.500000109.1R148R148-A153 HydrophobicContact CB-CB 3.98Å
154G91.6Very high91.6Very high6 Ų651.9 Ų51.96%0.06227%0.273CS..EExtended strand (participates in β ladder)trans-76.1-179.617300000113.5P64 R146 A147P64-G154 VanDerWaalsContact O-CA 3.24Å; P64-G154 WeakPolarHBondContact O-CA 3.24Å; R146-G154 WeakPolarHBondContact CD-O 3.35Å; A147-G154 PolarHBondContact O-N 2.93Å
155D94.3Very high90.3Very high133 Ų13356.5 Ų56.571%0.71130%0.295SS*.EExtended strand (participates in β ladder)trans-66.4155.2171.8-66-39.2000111.3A66 R146A66-D155 HydrophobicContact CB-CB 4.46Å; R146-D155 VanDerWaalsContact CB-O 3.3Å; R146-D155 WeakPolarHBondContact CB-O 3.42Å
156F95.8Very high88.9Confident41 Ų4157.3 Ų57.318%0.1830%0.302CS..EExtended strand (participates in β ladder)trans-72.8150.2170.2-76.8-79.8000111E100 R144 V145 R146E100-F156 HydrophobicContact CB-CE1 4.22Å; E100-F156 HydrophobicContact CB-CZ 4.49Å; E100-F156 HydrophobicContact CG-CE1 3.89Å; E100-F156 HydrophobicContact CG-CZ 3.77Å; E100-F156 VanDerWaalsContact OE1-CZ 3.29Å; E100-F156 WeakPolarHBondContact OE1-CZ 3.33Å; R144-F156 HydrophobicContact CB-CB 4.31Å; R144-F156 HydrophobicContact CB-CD1 4.09Å; R144-F156 HydrophobicContact CG-CB 4.29Å; R144-F156 HydrophobicContact CG-CD1 3.58Å; R144-F156 HydrophobicContact CG-CE1 4.08Å; R144-F156 HydrophobicContact CG-CG 4.03Å; V145-F156 CarbonylContact O-C 3.6Å; V145-F156 WeakPolarHBondContact O-CA 2.98Å; R146-F156 HydrophobicContact CB-CD1 3.73Å; R146-F156 HydrophobicContact CB-CE1 3.99Å; R146-F156 HydrophobicContact CB-CG 4.06Å; R146-F156 HydrophobicContact CG-CD1 3.92Å; R146-F156 HydrophobicContact CG-CE1 3.63Å; R146-F156 HydrophobicContact CG-CE2 4.45Å; R146-F156 HydrophobicContact CG-CG 4.45Å; R146-F156 HydrophobicContact CG-CZ 3.91Å
157S96.1Very high87.9Confident9 Ų955.8 Ų55.86%0.06330%0.297CS..PPolyproline II helixtrans-55.2160.7163.673.70000110.8P67 V145P67-S157 WeakPolarHBondContact O-CB 3.31Å; V145-S157 PolarHBondContact N-OG 2.86Å; V145-S157 VanDerWaalsContact N-OG 3.12Å; V145-S157 WeakPolarHBondContact O-CB 3.3Å; V145-S157 PolarHBondContact O-N 2.86Å
158E94Very high87Confident162 Ų16258.3 Ų58.376%0.75731%0.312SS*.PPolyproline II helixtrans-54.2136.6161.9-69.1-57133.700109.6
159P94.3Very high86.6Confident43 Ų4354.9 Ų54.928%0.27930%0.3SS..PPolyproline II helixtrans-70.6134.8-178.527.9-33.3000110.7A109 W118 V142 V143A109-P159 HydrophobicContact CB-CG 3.75Å; W118-P159 HydrophobicContact CH2-CB 4.45Å; V142-P159 HydrophobicContact CG1-CB 3.64Å; V143-P159 CarbonylContact O-C 3.55Å; V143-P159 VanDerWaalsContact O-CA 3.32Å; V143-P159 WeakPolarHBondContact O-CA 3.06Å
160V94.2Very high86.3Confident29 Ų2955.3 Ų55.318%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-109.6121.9177.7175.10000109.4I69 V71 V142 V143 M162I69-V160 HydrophobicContact CB-CG2 3.95Å; I69-V160 HydrophobicContact CD1-CB 4.27Å; I69-V160 HydrophobicContact CD1-CG2 4.01Å; I69-V160 HydrophobicContact CG1-CG2 4.49Å; I69-V160 HydrophobicContact CG2-CB 4.46Å; I69-V160 HydrophobicContact CG2-CG2 4.08Å; V71-V160 HydrophobicContact CG1-CG1 4.45Å; V71-V160 HydrophobicContact CG2-CG1 3.84Å; V71-V160 HydrophobicContact CG2-CG2 4.16Å; V142-V160 CarbonylContact C-O 3.58Å; V142-V160 WeakPolarHBondContact CA-O 3.42Å; V143-V160 HydrophobicContact CG2-CB 4.16Å; V143-V160 PolarHBondContact N-O 2.84Å; V143-V160 PolarHBondContact O-N 2.97Å; V160-M162 HydrophobicContact CG1-CG 4.43Å
161A92.9Very high86.4Confident36 Ų3648.5 Ų48.530%0.29828%0.277SS..EExtended strand (participates in β ladder)trans-82.6116.3171.600000110.1G107 F140 V142G107-A161 WeakPolarHBondContact O-CB 3.45Å; F140-A161 HydrophobicContact CB-CB 4.42Å; F140-A161 HydrophobicContact CD1-CB 4.18Å; F140-A161 HydrophobicContact CG-CB 4.44Å; V142-A161 HydrophobicContact CG2-CB 4.18Å
162M89.6Confident87Confident12 Ų1246.8 Ų46.86%0.05926%0.259CS..EExtended strand (participates in β ladder)trans-96.8124173.9-57.3-150.3-170.500109.9C74 V76 I81 V83 F140 I141 V143 V160 T164C74-M162 HydrophobicContact CB-CE 3.72Å; C74-M162 HydrophobicContact CB-SD 4.09Å; V76-M162 HydrophobicContact CG2-CB 3.96Å; V76-M162 HydrophobicContact CG2-SD 3.98Å; I81-M162 HydrophobicContact CD1-CB 4.46Å; I81-M162 HydrophobicContact CG2-CE 3.96Å; I81-M162 HydrophobicContact CG2-SD 3.25Å; I81-M162 WeakPolarHBondContact CG2-SD 3.12Å; V83-M162 HydrophobicContact CB-CE 4.27Å; V83-M162 HydrophobicContact CG1-CE 3.96Å; V83-M162 HydrophobicContact CG2-CE 3.77Å; F140-M162 CarbonylContact C-O 3.55Å; F140-M162 VanDerWaalsContact CA-O 3.23Å; F140-M162 WeakPolarHBondContact CA-O 3.01Å; I141-M162 PolarHBondContact N-O 3.23Å; I141-M162 WeakPolarHBondContact O-CB 3.42Å; I141-M162 PolarHBondContact O-N 2.81Å; V143-M162 HydrophobicContact CG1-CE 4.44Å; V143-M162 HydrophobicContact CG2-CE 3.53Å; V143-M162 HydrophobicContact CG2-CG 4.44Å; V160-M162 HydrophobicContact CG1-CG 4.43Å; M162-T164 PolarHBondContact O-N 2.82Å
163E85.9Confident87.2Confident112 Ų11249.4 Ų49.452%0.52327%0.272SS..EExtended strand (participates in β ladder)trans-70.4126.6178.7-171.3-173.6-175.800110.8F140 K165F140-E163 HydrophobicContact CD1-CB 4.23Å; F140-E163 HydrophobicContact CE1-CB 4.05Å; F140-E163 HydrophobicContact CE1-CG 4.2Å; E163-K165 HydrophobicContact CG-CG 4.2Å; E163-K165 WeakPolarHBondContact OE2-CE 3.26Å
164T81.5Confident87.3Confident7 Ų749.7 Ų49.74%0.04327%0.274CS..  trans-103.496.7175.336.70000108.8V76 I81 F136 S138 P139 F140 I141 M162 A166V76-T164 HydrophobicContact CG1-CG2 4.26Å; I81-T164 HydrophobicContact CD1-CG2 4.41Å; F136-T164 HydrophobicContact CB-CG2 4.17Å; F136-T164 HydrophobicContact CD1-CG2 3.4Å; F136-T164 VanDerWaalsContact CD1-CG2 3.4Å; F136-T164 HydrophobicContact CD2-CG2 3.88Å; F136-T164 HydrophobicContact CE1-CG2 3.63Å; F136-T164 HydrophobicContact CE2-CG2 4.09Å; F136-T164 HydrophobicContact CG-CG2 3.54Å; F136-T164 HydrophobicContact CZ-CG2 3.97Å; S138-T164 PolarHBondContact O-OG1 2.84Å; P139-T164 PolarHBondContact O-N 2.92Å; P139-T164 PolarHBondContact O-OG1 3.12Å; P139-T164 VanDerWaalsContact O-OG1 3.08Å; F140-T164 PolarHBondContact N-OG1 3Å; I141-T164 HydrophobicContact CG1-CG2 3.73Å; M162-T164 PolarHBondContact O-N 2.82Å; T164-A166 PolarHBondContact O-N 2.82Å
165K69.1Low87.4Confident160 Ų16049.7 Ų49.770%0.69627%0.273SS*.  trans-72.826.5-178-61.7-174.3177.5-178.10114.4E163 F167E163-K165 HydrophobicContact CG-CG 4.2Å; E163-K165 WeakPolarHBondContact OE2-CE 3.26Å; K165-F167 PolarHBondContact O-N 2.85Å
166A69.5Low87.3Confident18 Ų1843.4 Ų43.415%0.14924%0.24CC..  trans-72.4128.9-179.600000110.2F136 T164 T168F136-A166 HydrophobicContact CB-CB 3.3Å; F136-A166 HydrophobicContact CD2-CB 4.1Å; F136-A166 HydrophobicContact CG-CB 4.23Å; F136-A166 WeakPolarHBondContact O-CB 3.47Å; T164-A166 PolarHBondContact O-N 2.82Å; A166-T168 HydrophobicContact CB-CG2 4.35Å; A166-T168 PolarHBondContact O-N 2.8Å
167F75.9Confident87.1Confident27 Ų2742.1 Ų42.112%0.11823%0.234CC..  trans-73.4108167.1-175-118.2000109.2K165 F169 Q241 I243 H248 W250 P350K165-F167 PolarHBondContact O-N 2.85Å; F167-F169 AromaticContact CD1-CD1 3.6Å; F167-F169 HydrophobicContact CD1-CD1 3.6Å; F167-F169 AromaticContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CE1-CB 4.4Å; F167-F169 AromaticContact CE1-CD1 3.22Å; F167-F169 HydrophobicContact CE1-CD1 3.22Å; F167-F169 AromaticContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CG 4.05Å; F167-F169 HydrophobicContact CZ-CB 4.29Å; F167-F169 AromaticContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CG 4.39Å; F167-Q241 HydrophobicContact CE2-CB 3.89Å; F167-Q241 HydrophobicContact CZ-CB 4.06Å; F167-I243 HydrophobicContact CD1-CD1 4.46Å; F167-I243 HydrophobicContact CD2-CG1 4.34Å; F167-I243 HydrophobicContact CE1-CD1 3.82Å; F167-I243 HydrophobicContact CE1-CG1 3.88Å; F167-I243 HydrophobicContact CE2-CD1 4.48Å; F167-I243 HydrophobicContact CE2-CG1 3.65Å; F167-I243 HydrophobicContact CZ-CD1 3.85Å; F167-I243 HydrophobicContact CZ-CG1 3.39Å; F167-H248 HydrophobicContact CB-CB 4Å; F167-H248 VanDerWaalsContact CB-ND1 3.35Å; F167-H248 WeakPolarHBondContact CB-ND1 3.41Å; F167-H248 HydrophobicContact CD1-CB 4.16Å; F167-H248 AromaticContact CD2-ND1 3.4Å; F167-H248 WeakPolarHBondContact CD2-ND1 3.39Å; F167-H248 HydrophobicContact CG-CB 4.02Å; F167-H248 AromaticContact CG-CG 4Å; F167-H248 AromaticContact CG-ND1 3.43Å; F167-H248 WeakPolarHBondContact CG-ND1 3.43Å; F167-W250 HydrophobicContact CD1-CE3 4.01Å; F167-W250 HydrophobicContact CD1-CZ3 4.41Å; F167-W250 HydrophobicContact CE1-CE3 4.26Å; F167-W250 HydrophobicContact CE1-CZ3 4.39Å; F167-P350 HydrophobicContact CE1-CG 3.72Å; F167-P350 HydrophobicContact CZ-CG 4.15Å
168T74.9Confident86.9Confident52 Ų5243.8 Ų43.832%0.31925%0.249SC..  trans-111.5131.4177.151.90000109.1F136 A166 Q241 Y363F136-T168 VanDerWaalsContact O-CG2 3.27Å; F136-T168 WeakPolarHBondContact O-CG2 3.46Å; A166-T168 HydrophobicContact CB-CG2 4.35Å; A166-T168 PolarHBondContact O-N 2.8Å; T168-Q241 WeakPolarHBondContact O-CG 3.4Å; T168-Y363 HydrophobicContact CG2-CD1 3.9Å; T168-Y363 HydrophobicContact CG2-CE1 4.06Å
169F84.6Confident86.6Confident5 Ų538.1 Ų38.12%0.02222%0.222CC..  trans-147.4145177.565.7-87.3000109.2F167 D240 Q241 W250 P350 F352 Q361 Y363F167-F169 AromaticContact CD1-CD1 3.6Å; F167-F169 HydrophobicContact CD1-CD1 3.6Å; F167-F169 AromaticContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CE1-CB 4.4Å; F167-F169 AromaticContact CE1-CD1 3.22Å; F167-F169 HydrophobicContact CE1-CD1 3.22Å; F167-F169 AromaticContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CG 4.05Å; F167-F169 HydrophobicContact CZ-CB 4.29Å; F167-F169 AromaticContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CG 4.39Å; F169-D240 WeakPolarHBondContact CA-OD1 3.08Å; F169-Q241 HydrophobicContact CB-CB 3.85Å; F169-Q241 HydrophobicContact CB-CG 3.89Å; F169-W250 HydrophobicContact CE1-CB 3.85Å; F169-W250 HydrophobicContact CE1-CD2 4.03Å; F169-W250 AromaticContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CZ-CB 4.34Å; F169-W250 AromaticContact CZ-CD1 3.78Å; F169-W250 HydrophobicContact CZ-CD2 4.36Å; F169-W250 AromaticContact CZ-CG 3.92Å; F169-W250 HydrophobicContact CZ-CG 3.92Å; F169-P350 HydrophobicContact CD1-CG 3.9Å; F169-P350 HydrophobicContact CD2-CB 4.14Å; F169-P350 HydrophobicContact CD2-CG 3.93Å; F169-P350 HydrophobicContact CE1-CB 4.27Å; F169-P350 HydrophobicContact CE1-CG 3.73Å; F169-P350 HydrophobicContact CE2-CB 3.63Å; F169-P350 HydrophobicContact CE2-CG 3.8Å; F169-P350 HydrophobicContact CG-CG 3.99Å; F169-P350 HydrophobicContact CZ-CB 3.7Å; F169-P350 HydrophobicContact CZ-CG 3.69Å; F169-F352 AromaticContact CE2-CE2 3.82Å; F169-F352 HydrophobicContact CE2-CE2 3.82Å; F169-F352 AromaticContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CZ-CE2 4.39Å; F169-F352 AromaticContact CZ-CZ 3.87Å; F169-F352 HydrophobicContact CZ-CZ 3.87Å; F169-Q361 PolarHBondContact O-NE2 3.16Å; F169-Y363 PolarHBondContact O-OH 3.43Å
170G85.2Confident86.2Confident18 Ų1836.6 Ų36.619%0.18621%0.211CC..  trans-96.4-178.4165.700000111.4G239 D240G170-G239 CarbonylContact O-C 3.51Å; G170-G239 VanDerWaalsContact O-CA 3.32Å; G170-G239 WeakPolarHBondContact O-CA 3.46Å; G170-D240 WeakPolarHBondContact CA-OD2 3.35Å; G170-D240 VanDerWaalsContact N-CG 3.31Å; G170-D240 PolarHBondContact N-OD1 3.24Å; G170-D240 PolarHBondContact N-OD2 2.91Å; G170-D240 PolarHBondContact O-N 3.32Å
171F86.6Confident85.7Confident16 Ų1640.8 Ų40.87%0.0723%0.227CC..BIsolated β-bridgetrans-86.2129.7171.3-63.1-70.7000110.9T173 I182 V187 V237 F352F171-T173 PolarHBondContact O-N 3.07Å; F171-I182 HydrophobicContact CB-CD1 3.85Å; F171-I182 HydrophobicContact CB-CG1 4.27Å; F171-I182 HydrophobicContact CB-CG2 3.87Å; F171-I182 HydrophobicContact CD2-CG2 4.03Å; F171-I182 HydrophobicContact CG-CG2 4.34Å; F171-V187 HydrophobicContact CD1-CG2 3.71Å; F171-V187 HydrophobicContact CD2-CG2 3.67Å; F171-V187 HydrophobicContact CE1-CG2 3.54Å; F171-V187 HydrophobicContact CE2-CG2 3.51Å; F171-V187 HydrophobicContact CG-CG2 3.77Å; F171-V187 HydrophobicContact CZ-CG2 3.46Å; F171-V187 VanDerWaalsContact CZ-CG2 3.46Å; F171-V237 HydrophobicContact CB-CG2 3.96Å; F171-V237 HydrophobicContact CD1-CG1 3.93Å; F171-V237 HydrophobicContact CD1-CG2 4.18Å; F171-V237 HydrophobicContact CE1-CG1 4.4Å; F171-V237 HydrophobicContact CG-CG2 4.47Å; F171-F352 HydrophobicContact CD1-CD2 4.11Å; F171-F352 HydrophobicContact CD1-CE2 4.26Å; F171-F352 AromaticContact CE1-CD2 3.6Å; F171-F352 HydrophobicContact CE1-CD2 3.6Å; F171-F352 AromaticContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CG 4.12Å; F171-F352 HydrophobicContact CE1-CZ 4.26Å
172D92.8Very high85.2Confident24 Ų2441.3 Ų41.313%0.12823%0.225CC..  trans-76.796173.9-175.6-6.1000111A174 T175 A176 L238 D240 R268D172-A174 PolarHBondContact O-N 2.79Å; D172-A174 VanDerWaalsContact O-N 3.11Å; D172-A174 VanDerWaalsContact OD1-CB 3.26Å; D172-A174 WeakPolarHBondContact OD1-CB 3.49Å; D172-A174 PolarHBondContact OD1-N 3.14Å; D172-T175 HydrophobicContact CB-CG2 4.14Å; D172-T175 PolarHBondContact O-N 3.2Å; D172-T175 PolarHBondContact O-OG1 3.43Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.39Å; D172-A176 PolarHBondContact O-N 3.26Å; D172-L238 PolarHBondContact N-O 2.84Å; D172-D240 HydrophobicContact CB-CB 4.16Å; D172-R268 IonicContact OD2-CZ 2.64Å; D172-R268 IonicContact OD2-NH1 3.74Å; D172-R268 PolarHBondContact OD2-NH1 3.25Å; D172-R268 IonicContact OD2-NH2 3.9Å; D172-R268 PolarHBondContact OD2-NH2 3.04Å
173T91.1Very high84.7Confident86 Ų8648.5 Ų48.553%0.52826%0.258SS..THydrogen-bonded Turntrans-58.2-21.7179.364.50000114.2F171 T175 I182F171-T173 PolarHBondContact O-N 3.07Å; T173-T175 VanDerWaalsContact C-N 3.31Å; T173-I182 HydrophobicContact CG2-CB 4.4Å; T173-I182 HydrophobicContact CG2-CD1 3.84Å; T173-I182 HydrophobicContact CG2-CG2 4.37Å
174A93.4Very high84.3Confident48 Ų4846.1 Ų46.140%0.39726%0.264SS..THydrogen-bonded Turntrans-71.8-28.8176.600000112D172D172-A174 PolarHBondContact O-N 2.79Å; D172-A174 VanDerWaalsContact O-N 3.11Å; D172-A174 VanDerWaalsContact OD1-CB 3.26Å; D172-A174 WeakPolarHBondContact OD1-CB 3.49Å; D172-A174 PolarHBondContact OD1-N 3.14Å
175T94.4Very high84Confident5 Ų548.6 Ų48.63%0.03128%0.277CS..THydrogen-bonded Turntrans-85.6-31.3179.568.60000112.3D172 T173 H177 R229 F230 L238D172-T175 HydrophobicContact CB-CG2 4.14Å; D172-T175 PolarHBondContact O-N 3.2Å; D172-T175 PolarHBondContact O-OG1 3.43Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.39Å; T173-T175 VanDerWaalsContact C-N 3.31Å; T175-H177 PolarHBondContact O-N 2.92Å; T175-R229 WeakPolarHBondContact O-CA 3.05Å; T175-F230 WeakPolarHBondContact O-CD2 3.41Å; T175-F230 PolarHBondContact O-N 3.44Å; T175-L238 HydrophobicContact CG2-CB 4.32Å; T175-L238 HydrophobicContact CG2-CD1 4.08Å; T175-L238 HydrophobicContact CG2-CG 4.32Å; T175-L238 PolarHBondContact OG1-N 3.32Å; T175-L238 VanDerWaalsContact OG1-N 3.08Å
176A91.6Very high84.4Confident2 Ų242.4 Ų42.42%0.01725%0.252CS..SBendtrans-55.6129.4-168.200000114.2D172 I182 R229 T236 V237D172-A176 PolarHBondContact O-N 3.26Å; A176-I182 HydrophobicContact CB-CD1 3.55Å; A176-R229 WeakPolarHBondContact O-CD 3.46Å; A176-R229 WeakPolarHBondContact O-CG 3.09Å; A176-R229 PolarHBondContact O-NE 2.91Å; A176-R229 PolarHBondContact O-NH1 2.82Å; A176-T236 WeakPolarHBondContact CA-O 3.45Å; A176-V237 HydrophobicContact CB-CB 3.99Å; A176-V237 HydrophobicContact CB-CG2 3.77Å
177H92.1Very high84.9Confident14 Ų1441.5 Ų41.57%0.06525%0.245CC..  trans-49.1149.6174.1-171.7-89.8000112.9T175 E179 L180 R229 F230 G232 S234 Y235 T236T175-H177 PolarHBondContact O-N 2.92Å; H177-E179 PolarHBondContact ND1-N 2.77Å; H177-E179 VanDerWaalsContact ND1-N 3.17Å; H177-E179 PolarHBondContact O-N 3.11Å; H177-E179 VanDerWaalsContact O-N 3.16Å; H177-L180 HydrophobicContact CB-CD1 4.13Å; H177-L180 HydrophobicContact CB-CG 4.06Å; H177-L180 WeakPolarHBondContact O-CB 3.43Å; H177-L180 PolarHBondContact O-N 3.47Å; H177-R229 PolarHBondContact O-NH1 3.22Å; H177-F230 HydrophobicContact CB-CB 4.3Å; H177-F230 PolarHBondContact CD2-O 3.27Å; H177-G232 PolarHBondContact NE2-O 2.93Å; H177-S234 PolarHBondContact CD2-O 3.21Å; H177-S234 VanDerWaalsContact CD2-O 3.27Å; H177-Y235 AromaticContact CE1-CD1 3.83Å; H177-Y235 AromaticContact CE1-CE1 3.83Å; H177-Y235 AromaticContact ND1-CD1 3.63Å; H177-T236 PolarHBondContact N-O 2.88Å
178A91.3Very high85.1Confident44 Ų4441.3 Ų41.336%0.36425%0.246SC..THydrogen-bonded Turntrans-63.3-24.3-173.300000114.1Q192A178-Q192 PolarHBondContact O-NE2 3.01Å
179E87.3Confident85.4Confident43 Ų4341.3 Ų41.320%0.20124%0.241CC..THydrogen-bonded Turntrans-90.35.3174.7-61.6-176.6-178.400113.2H177 W189 E190 Q192 Y235H177-E179 PolarHBondContact ND1-N 2.77Å; H177-E179 VanDerWaalsContact ND1-N 3.17Å; H177-E179 PolarHBondContact O-N 3.11Å; H177-E179 VanDerWaalsContact O-N 3.16Å; E179-W189 CarbonylContact O-C 3.52Å; E179-W189 WeakPolarHBondContact O-CA 3.38Å; E179-W189 PolarHBondContact OE2-NE1 2.82Å; E179-E190 WeakPolarHBondContact CA-O 3.41Å; E179-E190 PolarHBondContact O-N 3.02Å; E179-Q192 HydrophobicContact CG-CG 4.33Å; E179-Y235 WeakPolarHBondContact OE2-CE1 3.41Å
180L85.8Confident85Confident10 Ų1044.5 Ų44.55%0.05226%0.256CS..EExtended strand (participates in β ladder)trans-99.8130171.5-63.3-179.6000109.9H177 V187 T188 W189 V237 V354H177-L180 HydrophobicContact CB-CD1 4.13Å; H177-L180 HydrophobicContact CB-CG 4.06Å; H177-L180 WeakPolarHBondContact O-CB 3.43Å; H177-L180 PolarHBondContact O-N 3.47Å; L180-V187 HydrophobicContact CB-CG1 4.27Å; L180-V187 HydrophobicContact CD1-CG1 4.18Å; L180-V187 HydrophobicContact CD2-CG1 4.14Å; L180-V187 HydrophobicContact CG-CG1 4.43Å; L180-T188 CarbonylContact C-O 3.53Å; L180-T188 VanDerWaalsContact CA-O 3.3Å; L180-T188 WeakPolarHBondContact CA-O 3.45Å; L180-W189 HydrophobicContact CD2-CB 4.02Å; L180-V237 HydrophobicContact CD1-CB 4.17Å; L180-V237 HydrophobicContact CD1-CG1 4.25Å; L180-V354 HydrophobicContact CD2-CB 4.23Å
181K84.3Confident84.3Confident117 Ų11747.4 Ų47.451%0.50927%0.271SS..EExtended strand (participates in β ladder)trans-103.5140166-61.1-163.2-173.7166.10109.9V187 T188 E190K181-V187 WeakPolarHBondContact O-CA 3.27Å; K181-T188 WeakPolarHBondContact CB-OG1 3.41Å; K181-T188 PolarHBondContact N-O 2.64Å; K181-T188 PolarHBondContact O-N 2.82Å; K181-T188 PolarHBondContact O-OG1 3.22Å; K181-E190 VanDerWaalsContact CD-CD 3.44Å; K181-E190 HydrophobicContact CD-CG 4.33Å; K181-E190 WeakPolarHBondContact CD-OE1 3.49Å; K181-E190 WeakPolarHBondContact CD-OE2 3.49Å; K181-E190 VanDerWaalsContact CE-CD 3.47Å; K181-E190 WeakPolarHBondContact CE-OE2 3.42Å; K181-E190 HydrophobicContact CG-CB 4.36Å; K181-E190 HydrophobicContact CG-CG 4.38Å; K181-E190 IonicContact NZ-OE1 3.56Å; K181-E190 IonicContact NZ-OE2 3.6Å; K181-E190 PolarHBondContact NZ-OE2 3.43Å
182I82.1Confident83.3Confident48 Ų4852.8 Ų52.825%0.24630%0.296CS..EExtended strand (participates in β ladder)trans-117.4126.4-179.9-63.7163.1000107.1F171 T173 A176 T186 V187 V237F171-I182 HydrophobicContact CB-CD1 3.85Å; F171-I182 HydrophobicContact CB-CG1 4.27Å; F171-I182 HydrophobicContact CB-CG2 3.87Å; F171-I182 HydrophobicContact CD2-CG2 4.03Å; F171-I182 HydrophobicContact CG-CG2 4.34Å; T173-I182 HydrophobicContact CG2-CB 4.4Å; T173-I182 HydrophobicContact CG2-CD1 3.84Å; T173-I182 HydrophobicContact CG2-CG2 4.37Å; A176-I182 HydrophobicContact CB-CD1 3.55Å; I182-T186 CarbonylContact C-O 3.55Å; I182-T186 VanDerWaalsContact CA-O 3.3Å; I182-T186 WeakPolarHBondContact CA-O 3.4Å; I182-V187 HydrophobicContact CG1-CG2 4.36Å; I182-V237 HydrophobicContact CD1-CG2 3.87Å
183Q78.8Confident81.5Confident162 Ų16254.7 Ų54.776%0.75732%0.322SS*.EExtended strand (participates in β ladder)trans-132.899.1175.7-171.8178.322.400109.3D185 T186Q183-D185 PolarHBondContact O-N 2.93Å; Q183-T186 PolarHBondContact N-O 2.99Å; Q183-T186 VanDerWaalsContact O-CB 3.26Å; Q183-T186 WeakPolarHBondContact O-CB 3.36Å; Q183-T186 PolarHBondContact O-N 2.92Å
184G78.2Confident79.3Confident63 Ų6357.2 Ų57.265%0.64934%0.337SS*.THydrogen-bonded Turntrans56.3-121.3-171.600000110.7T186G184-T186 PolarHBondContact O-N 2.75Å
185D75.6Confident77.1Confident58 Ų5864.6 Ų64.631%0.3136%0.36SS..THydrogen-bonded Turntrans-83.816.6-179.5-69.2-31.5000113.6Q183 Q361 Y363Q183-D185 PolarHBondContact O-N 2.93Å; D185-Q361 HydrophobicContact CB-CB 3.96Å; D185-Q361 WeakPolarHBondContact O-CB 3.45Å; D185-Q361 PolarHBondContact O-N 3.22Å; D185-Y363 WeakPolarHBondContact OD1-CE2 3.43Å; D185-Y363 PolarHBondContact OD1-OH 2.83Å; D185-Y363 WeakPolarHBondContact OD2-CE2 3.2Å
186T76.9Confident74.4Confident30 Ų3067.2 Ų67.218%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-122.4133.8-172.3-620000113.3I182 Q183 G184 T188 V358 L359I182-T186 CarbonylContact C-O 3.55Å; I182-T186 VanDerWaalsContact CA-O 3.3Å; I182-T186 WeakPolarHBondContact CA-O 3.4Å; Q183-T186 PolarHBondContact N-O 2.99Å; Q183-T186 VanDerWaalsContact O-CB 3.26Å; Q183-T186 WeakPolarHBondContact O-CB 3.36Å; Q183-T186 PolarHBondContact O-N 2.92Å; G184-T186 PolarHBondContact O-N 2.75Å; T186-T188 HydrophobicContact CG2-CG2 4.05Å; T186-V358 HydrophobicContact CG2-CG1 3.05Å; T186-L359 WeakPolarHBondContact CA-O 3.35Å
187V81.1Confident71.7Confident0 Ų076 Ų760%043%0.428CS..EExtended strand (participates in β ladder)trans-117.3126.8172-173.50000110.4F171 L180 K181 I182 V237 V354 V358 L359F171-V187 HydrophobicContact CD1-CG2 3.71Å; F171-V187 HydrophobicContact CD2-CG2 3.67Å; F171-V187 HydrophobicContact CE1-CG2 3.54Å; F171-V187 HydrophobicContact CE2-CG2 3.51Å; F171-V187 HydrophobicContact CG-CG2 3.77Å; F171-V187 HydrophobicContact CZ-CG2 3.46Å; F171-V187 VanDerWaalsContact CZ-CG2 3.46Å; L180-V187 HydrophobicContact CB-CG1 4.27Å; L180-V187 HydrophobicContact CD1-CG1 4.18Å; L180-V187 HydrophobicContact CD2-CG1 4.14Å; L180-V187 HydrophobicContact CG-CG1 4.43Å; K181-V187 WeakPolarHBondContact O-CA 3.27Å; I182-V187 HydrophobicContact CG1-CG2 4.36Å; V187-V237 HydrophobicContact CG1-CG1 4.15Å; V187-V237 HydrophobicContact CG2-CG1 4Å; V187-V354 HydrophobicContact CG1-CG2 4.21Å; V187-V358 WeakPolarHBondContact O-CA 3.4Å; V187-L359 PolarHBondContact N-O 2.8Å; V187-L359 PolarHBondContact O-N 3.12Å
188T78.9Confident68.8Low23 Ų2382.9 Ų82.914%0.14147%0.465CS..EExtended strand (participates in β ladder)trans-122.4139.7177.159.20000110.7L180 K181 T186 I357 V358L180-T188 CarbonylContact C-O 3.53Å; L180-T188 VanDerWaalsContact CA-O 3.3Å; L180-T188 WeakPolarHBondContact CA-O 3.45Å; K181-T188 WeakPolarHBondContact CB-OG1 3.41Å; K181-T188 PolarHBondContact N-O 2.64Å; K181-T188 PolarHBondContact O-N 2.82Å; K181-T188 PolarHBondContact O-OG1 3.22Å; T186-T188 HydrophobicContact CG2-CG2 4.05Å; T188-I357 HydrophobicContact CG2-CG2 3.4Å; T188-V358 HydrophobicContact CG2-CB 4.26Å; T188-V358 HydrophobicContact CG2-CG1 3.81Å; T188-V358 HydrophobicContact CG2-CG2 4.15Å
189W81.2Confident66.6Low52 Ų5285 Ų8520%0.19748%0.483CS..EExtended strand (participates in β ladder)trans-89.6115.4169.6176.181000110.2E179 L180 P191 Y235 V354 I357E179-W189 CarbonylContact O-C 3.52Å; E179-W189 WeakPolarHBondContact O-CA 3.38Å; E179-W189 PolarHBondContact OE2-NE1 2.82Å; L180-W189 HydrophobicContact CD2-CB 4.02Å; W189-P191 HydrophobicContact CH2-CB 3.65Å; W189-P191 HydrophobicContact CH2-CG 3.6Å; W189-P191 HydrophobicContact CZ2-CB 3.73Å; W189-P191 HydrophobicContact CZ2-CG 4.14Å; W189-P191 HydrophobicContact CZ3-CB 4.34Å; W189-P191 HydrophobicContact CZ3-CG 3.83Å; W189-Y235 AromaticContact CD1-CD1 3.82Å; W189-Y235 AromaticContact NE1-CD1 3.66Å; W189-Y235 AromaticContact NE1-CE1 3.61Å; W189-V354 HydrophobicContact CB-CG1 4.34Å; W189-I357 HydrophobicContact CB-CG1 4.4Å; W189-I357 WeakPolarHBondContact O-CD1 3.29Å; W189-I357 WeakPolarHBondContact O-CG1 3.24Å
190E77Confident64.5Low72 Ų7294 Ų9434%0.33652%0.515SS..  trans-123.1111.6177.2-67.7-170.7-150.300109.8E179 K181 Q192E179-E190 WeakPolarHBondContact CA-O 3.41Å; E179-E190 PolarHBondContact O-N 3.02Å; K181-E190 VanDerWaalsContact CD-CD 3.44Å; K181-E190 HydrophobicContact CD-CG 4.33Å; K181-E190 WeakPolarHBondContact CD-OE1 3.49Å; K181-E190 WeakPolarHBondContact CD-OE2 3.49Å; K181-E190 VanDerWaalsContact CE-CD 3.47Å; K181-E190 WeakPolarHBondContact CE-OE2 3.42Å; K181-E190 HydrophobicContact CG-CB 4.36Å; K181-E190 HydrophobicContact CG-CG 4.38Å; K181-E190 IonicContact NZ-OE1 3.56Å; K181-E190 IonicContact NZ-OE2 3.6Å; K181-E190 PolarHBondContact NZ-OE2 3.43Å; E190-Q192 PolarHBondContact O-N 3.37Å
191P70.3Confident62.5Low78 Ų78102.3 Ų102.351%0.50656%0.559SS.*  trans-62.2126-178.721-26.7000108.7W189 G193W189-P191 HydrophobicContact CH2-CB 3.65Å; W189-P191 HydrophobicContact CH2-CG 3.6Å; W189-P191 HydrophobicContact CZ2-CB 3.73Å; W189-P191 HydrophobicContact CZ2-CG 4.14Å; W189-P191 HydrophobicContact CZ3-CB 4.34Å; W189-P191 HydrophobicContact CZ3-CG 3.83Å; P191-G193 PolarHBondContact O-N 3.11Å
192Q64.6Low60.4Low129 Ų129108.5 Ų108.560%0.60358%0.579SS**  trans-68.1107.1168.6-69.7-167.27.200106.5A178 E179 E190 V194A178-Q192 PolarHBondContact O-NE2 3.01Å; E179-Q192 HydrophobicContact CG-CG 4.33Å; E190-Q192 PolarHBondContact O-N 3.37Å; Q192-V194 PolarHBondContact O-N 3.39Å
193G55.5Low58.1Low65 Ų65109.8 Ų109.867%0.6760%0.604SS**  trans-45.5130179.200000110P191 K195P191-G193 PolarHBondContact O-N 3.11Å; G193-K195 PolarHBondContact O-N 3.1Å
194V45.4Very low56.3Low138 Ų138111.4 Ų111.484%0.83661%0.609SS**  trans-50.4111.1178.1-168.70000106.7Q192 G196Q192-V194 PolarHBondContact O-N 3.39Å; V194-G196 PolarHBondContact O-N 2.84Å
195K46.5Very low54Low203 Ų203118.1 Ų118.188%0.88362%0.623SS**  trans-62.996.7164.9-83.6-171.8177.3-178.10105G193 H197G193-K195 PolarHBondContact O-N 3.1Å; K195-H197 PolarHBondContact O-N 2.9Å
196G37.1Very low51.9Low60 Ų60122.6 Ų122.662%0.61965%0.647SS**  trans-51.1118.3177.300000107.7V194 D198V194-G196 PolarHBondContact O-N 2.84Å; G196-D198 VanDerWaalsContact C-N 3.34Å; G196-D198 PolarHBondContact O-N 2.96Å
197H36.3Very low49.9Very low187 Ų187130 Ų13087%0.86668%0.677SS**  trans-66.8104.9164.1-148.6-61.3000104.7K195 A199K195-H197 PolarHBondContact O-N 2.9Å; H197-A199 PolarHBondContact O-N 2.86Å
198D31.3Very low47.5Very low158 Ų158137.7 Ų137.785%0.84572%0.718SS**  trans-57.2101179.9-104.8-34.7000109.1G196 R200G196-D198 VanDerWaalsContact C-N 3.34Å; G196-D198 PolarHBondContact O-N 2.96Å; D198-R200 PolarHBondContact O-N 2.84Å
199A45Very low45.3Very low89 Ų89141.9 Ų141.974%0.73675%0.748SS**  trans-89.880.2169.900000107.7H197H197-A199 PolarHBondContact O-N 2.86Å
200R42Very low43.2Very low233 Ų233144.1 Ų144.188%0.87977%0.772SS**  trans174.988.2154.1-97.2156.8-170.2-162.65.2111.5D198D198-R200 PolarHBondContact O-N 2.84Å
201L44.3Very low41.4Very low184 Ų184152.1 Ų152.196%0.96380%0.799SS**  trans-137.3119134.8-76.3-179.5000108.2
202R40.9Very low40Very low246 Ų246154.2 Ų154.293%0.92882%0.816SS**  trans-98.8127.9-176.9-170-175.6-165.4-116.78.8107.8
203G33.3Very low38.4Very low76 Ų76152.5 Ų152.578%0.78482%0.823SS**  trans-163.3103.1169.200000110.9
204K41.3Very low37.5Very low196 Ų196155.9 Ų155.985%0.85283%0.831SS**  trans-64.7130.3169.3-84.2178.9169.8-179.90109
205E29.1Very low37Very low204 Ų204155.1 Ų155.195%0.95383%0.829SS**  trans-144.3145.8138.2-74.7-161.6147.300110.3
206N32Very low36.4Very low151 Ų151150.4 Ų150.481%0.80782%0.822SS**  trans-128.7118.5-164.6-169.327.6000108.1
207K35.8Very low36.6Very low187 Ų187153.7 Ų153.781%0.81383%0.832SS**  trans153.1131.8138.6-89.2179.3176.2177.60114.1
208N29.2Very low36.4Very low160 Ų160151.8 Ų151.886%0.85683%0.828SS**  trans39.6115.2147.8-77.219.6000121.1
209S32.9Very low37.1Very low111 Ų111154.3 Ų154.378%0.77683%0.832SS**  -165.5123.6121.5178.70000110.8
210S38.4Very low36.6Very low100 Ų100155.9 Ų155.970%0.69983%0.832SS**  trans-48133.7161.247.70000112.6
211R38.2Very low36.5Very low239 Ų239149.7 Ų149.790%0.90283%0.831SS**  trans-179.1122135.7-96.3157.8-166.2-158.85110.7
212S40.1Very low36.3Very low123 Ų123144.1 Ų144.186%0.8682%0.818SS**  trans-58.2123.7166.147.70000112.1
213A32.6Very low36.5Very low92 Ų92137 Ų13776%0.7681%0.806SS**  trans-164.1106.9149.600000108.1P215A213-P215 WeakPolarHBondContact O-CD 3.45Å
214T36.7Very low37.1Very low136 Ų136144.9 Ų144.983%0.83481%0.812SS**  trans-63.8119.9165.237.40000109.2S216T214-S216 PolarHBondContact O-N 2.64Å
215P33.7Very low37.4Very low123 Ų123137.5 Ų137.580%0.79979%0.792SS**  trans-83.7111.7166.229.1-21000108A213A213-P215 WeakPolarHBondContact O-CD 3.45Å
216S34.3Very low38.7Very low104 Ų104129.7 Ų129.773%0.72777%0.766SS**  trans-51.4136.1165.1-57.30000109.6T214 N218T214-S216 PolarHBondContact O-N 2.64Å; S216-N218 PolarHBondContact O-N 3.07Å
217P41.7Very low40.3Very low129 Ų129132.2 Ų132.284%0.83876%0.764SS**  trans-66.4109.7174.2-12.125.8000108.4K219P217-K219 PolarHBondContact O-N 2.74Å
218N32.5Very low42.3Very low146 Ų146129.3 Ų129.378%0.78175%0.753SS**  trans-52.7122.6165.9-106.8-19.1000108.1S216 T220S216-N218 PolarHBondContact O-N 3.07Å; N218-T220 PolarHBondContact O-N 3.38Å
219K44.9Very low45.3Very low211 Ų211125.5 Ų125.592%0.91773%0.727SS**  trans-65.573.9163.7-75.1-180177.4174.30108.4P217 A221P217-K219 PolarHBondContact O-N 2.74Å; K219-A221 PolarHBondContact O-N 2.98Å
220T34.3Very low48.2Very low122 Ų122120.6 Ų120.675%0.74869%0.692SS**  trans-67.6119.8155.937.60000106.3N218 G222N218-T220 PolarHBondContact O-N 3.38Å; T220-G222 PolarHBondContact O-N 3.33Å
221A39.6Very low50.7Low104 Ų104116.6 Ų116.686%0.8667%0.665SS**  trans-55.783.2175.700000110.3K219 S223K219-A221 PolarHBondContact O-N 2.98Å; A221-S223 PolarHBondContact O-N 3.37Å
222G40.5Very low53.2Low67 Ų67107.5 Ų107.569%0.69165%0.645SS**  trans-61.5121.4164.100000107.3T220 R224T220-G222 PolarHBondContact O-N 3.33Å; G222-R224 PolarHBondContact O-N 3.32Å
223S45.9Very low55.4Low96 Ų96108.2 Ų108.267%0.67164%0.635SS**  trans-6.5112.5172-176.70000114.5A221 G225 G226A221-S223 PolarHBondContact O-N 3.37Å; S223-G225 PolarHBondContact O-N 2.97Å; S223-G225 PolarHBondContact OG-N 3.25Å; S223-G226 PolarHBondContact O-N 2.78Å
224R45.6Very low58.1Low241 Ų241103.9 Ų103.991%0.90960%0.599SS**G310 helixtrans-52.1-17170.3-71.8-178.7178.5164.4-1112.8G222 G226G222-R224 PolarHBondContact O-N 3.32Å; R224-G226 VanDerWaalsContact C-N 3.31Å; R224-G226 PolarHBondContact O-N 2.81Å
225G47.3Very low60.6Low41 Ų41100.2 Ų100.242%0.42357%0.571SS.*G310 helixtrans-73-10.7175.200000115.9S223S223-G225 PolarHBondContact O-N 2.97Å; S223-G225 PolarHBondContact OG-N 3.25Å
226G57.5Low63.4Low40 Ų4094.4 Ų94.441%0.41253%0.533SS..G310 helixtrans-84.2-13178.600000115S223 R224 R273S223-G226 PolarHBondContact O-N 2.78Å; R224-G226 VanDerWaalsContact C-N 3.31Å; R224-G226 PolarHBondContact O-N 2.81Å; G226-R273 PolarHBondContact O-NH1 3.09Å
227R64.5Low66.2Low205 Ų20589.4 Ų89.477%0.77450%0.498SS*.SBendtrans-83.3-37.6-174.8-162.9177.4-174.4-171.2-0.5112.6
228E77.5Confident68.8Low125 Ų12583.5 Ų83.558%0.58446%0.459SS*.SBendtrans-81.5-14.7-178.7-59.5-58.2143.300113.3
229R92.4Very high71.6Confident81 Ų8176.6 Ų76.631%0.30642%0.422SS..SBendtrans-79.2135.1-175.2-162.3178-78.4-108.4-2.8112.3T175 A176 H177 R273T175-R229 WeakPolarHBondContact O-CA 3.05Å; A176-R229 WeakPolarHBondContact O-CD 3.46Å; A176-R229 WeakPolarHBondContact O-CG 3.09Å; A176-R229 PolarHBondContact O-NE 2.91Å; A176-R229 PolarHBondContact O-NH1 2.82Å; H177-R229 PolarHBondContact O-NH1 3.22Å; R229-R273 WeakPolarHBondContact O-CB 3.21Å
230F93.9Very high73.8Confident8 Ų870 Ų704%0.03540%0.397CS..  trans-59.3146.7167.2-73-80.6000111.5T175 H177 S234 T236 L238 L271 G272 R273T175-F230 WeakPolarHBondContact O-CD2 3.41Å; T175-F230 PolarHBondContact O-N 3.44Å; H177-F230 HydrophobicContact CB-CB 4.3Å; H177-F230 PolarHBondContact CD2-O 3.27Å; F230-S234 VanDerWaalsContact CB-O 3.3Å; F230-S234 WeakPolarHBondContact CB-O 3.37Å; F230-T236 HydrophobicContact CD1-CG2 4.39Å; F230-T236 HydrophobicContact CD2-CG2 3.91Å; F230-T236 WeakPolarHBondContact CD2-O 3.48Å; F230-T236 HydrophobicContact CE1-CG2 4.19Å; F230-T236 HydrophobicContact CE2-CG2 3.73Å; F230-T236 HydrophobicContact CG-CG2 4.29Å; F230-T236 HydrophobicContact CZ-CG2 3.89Å; F230-L238 HydrophobicContact CE2-CD1 4.1Å; F230-L238 HydrophobicContact CE2-CD2 4.18Å; F230-L238 HydrophobicContact CE2-CG 3.87Å; F230-L238 HydrophobicContact CZ-CD1 4.28Å; F230-L238 HydrophobicContact CZ-CD2 4.28Å; F230-L238 HydrophobicContact CZ-CG 4.31Å; F230-L271 HydrophobicContact CE1-CD2 3.91Å; F230-L271 HydrophobicContact CE1-CG 4.02Å; F230-L271 HydrophobicContact CZ-CD2 3.62Å; F230-L271 HydrophobicContact CZ-CG 4.05Å; F230-G272 WeakPolarHBondContact CE1-O 3.4Å; F230-R273 CarbonylContact C-O 3.58Å; F230-R273 WeakPolarHBondContact CA-O 3.3Å; F230-R273 WeakPolarHBondContact CD1-O 3.26Å
231A91.8Very high76.5Confident15 Ų1568.6 Ų68.612%0.12438%0.382CS..  trans-145.4167.1-174.800000112.2S234 R273 F274A231-S234 WeakPolarHBondContact O-CB 3.25Å; A231-S234 PolarHBondContact O-N 3.31Å; A231-R273 VanDerWaalsContact CB-NH2 3.25Å; A231-R273 PolarHBondContact N-O 2.84Å; A231-F274 HydrophobicContact CB-CD1 4.03Å; A231-F274 HydrophobicContact CB-CE1 3.6Å; A231-F274 HydrophobicContact CB-CZ 4.35Å
232G89.3Confident79.1Confident48 Ų4867.8 Ų67.850%0.49536%0.36SS..THydrogen-bonded Turntrans71.6-135.8-178.700000111H177 S234H177-G232 PolarHBondContact NE2-O 2.93Å; G232-S234 PolarHBondContact O-N 3.39Å
233E86Confident81.6Confident139 Ų13964.6 Ų64.665%0.6533%0.328SS*.THydrogen-bonded Turntrans-84.711.1178.3-58.2-176.6165.300113.1Y235 Q276E233-Y235 PolarHBondContact O-N 2.9Å; E233-Q276 VanDerWaalsContact CB-NE2 3.28Å; E233-Q276 PolarHBondContact O-NE2 3.15Å
234S90.1Very high83.7Confident1 Ų165 Ų651%0.00732%0.322CS..  trans-90.475.7176.3-66.10000110.2H177 F230 A231 G232 T236 F274 D275H177-S234 PolarHBondContact CD2-O 3.21Å; H177-S234 VanDerWaalsContact CD2-O 3.27Å; F230-S234 VanDerWaalsContact CB-O 3.3Å; F230-S234 WeakPolarHBondContact CB-O 3.37Å; A231-S234 WeakPolarHBondContact O-CB 3.25Å; A231-S234 PolarHBondContact O-N 3.31Å; G232-S234 PolarHBondContact O-N 3.39Å; S234-T236 PolarHBondContact O-N 3.05Å; S234-F274 PolarHBondContact OG-O 2.73Å; S234-F274 VanDerWaalsContact OG-O 3.1Å; S234-D275 WeakPolarHBondContact CB-O 3.27Å; S234-D275 PolarHBondContact OG-N 2.87Å; S234-D275 PolarHBondContact OG-O 3.48Å
235Y90.1Very high85.7Confident59 Ų5954.8 Ų54.823%0.23129%0.291CS..  trans-72.859174.9-53.6-68.9000111.8H177 E179 W189 E233 T353 V354H177-Y235 AromaticContact CE1-CD1 3.83Å; H177-Y235 AromaticContact CE1-CE1 3.83Å; H177-Y235 AromaticContact ND1-CD1 3.63Å; E179-Y235 WeakPolarHBondContact OE2-CE1 3.41Å; W189-Y235 AromaticContact CD1-CD1 3.82Å; W189-Y235 AromaticContact NE1-CD1 3.66Å; W189-Y235 AromaticContact NE1-CE1 3.61Å; E233-Y235 PolarHBondContact O-N 2.9Å; Y235-T353 CarbonylContact O-C 3.52Å; Y235-T353 WeakPolarHBondContact O-CA 3.35Å; Y235-T353 WeakPolarHBondContact O-CG2 3.39Å; Y235-V354 VanDerWaalsContact CB-O 3.25Å; Y235-V354 WeakPolarHBondContact CB-O 3.38Å; Y235-V354 PolarHBondContact O-N 2.85Å
236T92.3Very high87.6Confident0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-113.7148.9-167.4-60.20000112.1A176 H177 F230 S234 L238 L277 F352 T353A176-T236 WeakPolarHBondContact CA-O 3.45Å; H177-T236 PolarHBondContact N-O 2.88Å; F230-T236 HydrophobicContact CD1-CG2 4.39Å; F230-T236 HydrophobicContact CD2-CG2 3.91Å; F230-T236 WeakPolarHBondContact CD2-O 3.48Å; F230-T236 HydrophobicContact CE1-CG2 4.19Å; F230-T236 HydrophobicContact CE2-CG2 3.73Å; F230-T236 HydrophobicContact CG-CG2 4.29Å; F230-T236 HydrophobicContact CZ-CG2 3.89Å; S234-T236 PolarHBondContact O-N 3.05Å; T236-L238 HydrophobicContact CG2-CD2 4.33Å; T236-L277 HydrophobicContact CG2-CD1 4.46Å; T236-L277 HydrophobicContact CG2-CD2 4.3Å; T236-L277 HydrophobicContact CG2-CG 4.35Å; T236-F352 CarbonylContact C-O 3.56Å; T236-F352 WeakPolarHBondContact CA-O 3.46Å; T236-T353 PolarHBondContact OG1-OG1 3.42Å
237V93.2Very high89Confident0 Ų055.5 Ų55.50%029%0.287CS..EExtended strand (participates in β ladder)trans-137.6145.9166.459.60000109.5F171 A176 L180 I182 V187 F352F171-V237 HydrophobicContact CB-CG2 3.96Å; F171-V237 HydrophobicContact CD1-CG1 3.93Å; F171-V237 HydrophobicContact CD1-CG2 4.18Å; F171-V237 HydrophobicContact CE1-CG1 4.4Å; F171-V237 HydrophobicContact CG-CG2 4.47Å; A176-V237 HydrophobicContact CB-CB 3.99Å; A176-V237 HydrophobicContact CB-CG2 3.77Å; L180-V237 HydrophobicContact CD1-CB 4.17Å; L180-V237 HydrophobicContact CD1-CG1 4.25Å; I182-V237 HydrophobicContact CD1-CG2 3.87Å; V187-V237 HydrophobicContact CG1-CG1 4.15Å; V187-V237 HydrophobicContact CG2-CG1 4Å; V237-F352 HydrophobicContact CG1-CB 4.12Å; V237-F352 PolarHBondContact N-O 3.44Å; V237-F352 PolarHBondContact O-N 3.18Å
238L95.1Very high89.9Confident5 Ų547.6 Ų47.63%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-103.1160176.1-54.2178.8000111.4D172 T175 F230 T236 R268 L271 V349 P350 A351D172-L238 PolarHBondContact N-O 2.84Å; T175-L238 HydrophobicContact CG2-CB 4.32Å; T175-L238 HydrophobicContact CG2-CD1 4.08Å; T175-L238 HydrophobicContact CG2-CG 4.32Å; T175-L238 PolarHBondContact OG1-N 3.32Å; T175-L238 VanDerWaalsContact OG1-N 3.08Å; F230-L238 HydrophobicContact CE2-CD1 4.1Å; F230-L238 HydrophobicContact CE2-CD2 4.18Å; F230-L238 HydrophobicContact CE2-CG 3.87Å; F230-L238 HydrophobicContact CZ-CD1 4.28Å; F230-L238 HydrophobicContact CZ-CD2 4.28Å; F230-L238 HydrophobicContact CZ-CG 4.31Å; T236-L238 HydrophobicContact CG2-CD2 4.33Å; L238-R268 HydrophobicContact CD1-CG 4.26Å; L238-L271 HydrophobicContact CD2-CD2 4.21Å; L238-V349 HydrophobicContact CB-CG2 4.06Å; L238-V349 HydrophobicContact CD1-CG2 4.02Å; L238-V349 HydrophobicContact CD2-CG2 4.12Å; L238-V349 HydrophobicContact CG-CG2 4.26Å; L238-P350 CarbonylContact C-O 3.58Å; L238-P350 WeakPolarHBondContact CA-O 3.26Å; L238-A351 HydrophobicContact CD2-CB 3.63Å
239G92.9Very high90.4Very high0 Ų042.5 Ų42.50%023%0.234CC..BIsolated β-bridgetrans-68.3154.5164.600000111.8G170 R268 P350G170-G239 CarbonylContact O-C 3.51Å; G170-G239 VanDerWaalsContact O-CA 3.32Å; G170-G239 WeakPolarHBondContact O-CA 3.46Å; G239-R268 PolarHBondContact O-NH1 3Å; G239-P350 PolarHBondContact N-O 3.41Å
240D91Very high90.1Very high72 Ų7238.9 Ų38.939%0.38522%0.22SC..SBendtrans-89.1-8.9178.666.36.2000114.3F169 G170 D172F169-D240 WeakPolarHBondContact CA-OD1 3.08Å; G170-D240 WeakPolarHBondContact CA-OD2 3.35Å; G170-D240 VanDerWaalsContact N-CG 3.31Å; G170-D240 PolarHBondContact N-OD1 3.24Å; G170-D240 PolarHBondContact N-OD2 2.91Å; G170-D240 PolarHBondContact O-N 3.32Å; D172-D240 HydrophobicContact CB-CB 4.16Å
241Q90.3Very high89.8Confident94 Ų9439 Ų3944%0.43922%0.221SC..SBendtrans-109.8140.1173.6-60.1-50.7-52.900112.2F167 T168 F169F167-Q241 HydrophobicContact CE2-CB 3.89Å; F167-Q241 HydrophobicContact CZ-CB 4.06Å; T168-Q241 WeakPolarHBondContact O-CG 3.4Å; F169-Q241 HydrophobicContact CB-CB 3.85Å; F169-Q241 HydrophobicContact CB-CG 3.89Å
242E94.2Very high89.4Confident86 Ų8638.6 Ų38.640%0.40222%0.216SC..  trans-93.9137.2175.4-65.2-173164.500111.7N244 R268 P347 L348 V349E242-N244 PolarHBondContact O-ND2 2.95Å; E242-R268 WeakPolarHBondContact OE1-CD 3.49Å; E242-P347 HydrophobicContact CB-CB 4.1Å; E242-P347 HydrophobicContact CG-CB 4.37Å; E242-L348 CarbonylContact C-O 3.59Å; E242-L348 WeakPolarHBondContact CA-O 3.25Å; E242-V349 HydrophobicContact CB-CG1 4.48Å; E242-V349 HydrophobicContact CG-CG1 3.79Å
243I92.4Very high89.2Confident1 Ų139.4 Ų39.41%0.00521%0.205CC..BIsolated β-bridgetrans-92110.4169.9-61168000107.5F167 H248 W250 C319 H321 P347 L348F167-I243 HydrophobicContact CD1-CD1 4.46Å; F167-I243 HydrophobicContact CD2-CG1 4.34Å; F167-I243 HydrophobicContact CE1-CD1 3.82Å; F167-I243 HydrophobicContact CE1-CG1 3.88Å; F167-I243 HydrophobicContact CE2-CD1 4.48Å; F167-I243 HydrophobicContact CE2-CG1 3.65Å; F167-I243 HydrophobicContact CZ-CD1 3.85Å; F167-I243 HydrophobicContact CZ-CG1 3.39Å; I243-H248 HydrophobicContact CD1-CB 4.26Å; I243-H248 WeakPolarHBondContact CG2-CD2 3.4Å; I243-W250 HydrophobicContact CD1-CH2 3.98Å; I243-W250 HydrophobicContact CD1-CZ3 3.79Å; I243-C319 HydrophobicContact CD1-CB 4.42Å; I243-H321 HydrophobicContact CG2-CB 3.89Å; I243-H321 PolarHBondContact O-CD2 3.46Å; I243-P347 WeakPolarHBondContact O-CA 3.49Å; I243-L348 HydrophobicContact CB-CB 4.23Å; I243-L348 PolarHBondContact N-O 2.94Å; I243-L348 PolarHBondContact O-N 3.44Å
244N91.2Very high89Confident105 Ų10533 Ų3356%0.56118%0.175SC*.  trans-107.6-3.9-175.9-72.4-70000114.1E242 P347E242-N244 PolarHBondContact O-ND2 2.95Å; N244-P347 VanDerWaalsContact OD1-CB 3.26Å; N244-P347 WeakPolarHBondContact OD1-CB 3.5Å; N244-P347 WeakPolarHBondContact OD1-CG 3.3Å
245G87.5Confident88.3Confident25 Ų2535.2 Ų35.226%0.25819%0.186SC..SBendtrans164.4166.7-176.100000111.3H248 D322G245-H248 PolarHBondContact O-NE2 2.73Å; G245-D322 WeakPolarHBondContact CA-OD1 3.43Å
246G86.8Confident87.2Confident23 Ų2336.2 Ų36.224%0.23721%0.207CC..SBendtrans75.5-169.8179.500000115.5H321 D322G246-H321 PolarHBondContact O-N 2.78Å; G246-D322 VanDerWaalsContact CA-OD2 3.31Å; G246-D322 WeakPolarHBondContact CA-OD2 3.19Å; G246-D322 VanDerWaalsContact N-CG 3.31Å; G246-D322 PolarHBondContact N-OD1 3.34Å; G246-D322 PolarHBondContact N-OD2 2.92Å
247C86.1Confident86.1Confident74 Ų7442.1 Ų42.150%0.524%0.239SC..EExtended strand (participates in β ladder)trans-106.4127.2-176.5-49.80000111.1Y318 C319C247-Y318 HydrophobicContact CB-CE2 3.89Å; C247-Y318 WeakPolarHBondContact CB-OH 3.42Å; C247-Y318 PolarHBondContact SG-OH 3.06Å; C247-C319 CarbonylContact C-O 3.24Å; C247-C319 WeakPolarHBondContact CA-O 3.36Å
248H84.8Confident85.3Confident38 Ų3842.5 Ų42.518%0.17624%0.24CC..EExtended strand (participates in β ladder)trans-129.3146-176.9-58.9-87.1000110.5F167 I243 G245 W250 Y318 C319F167-H248 HydrophobicContact CB-CB 4Å; F167-H248 VanDerWaalsContact CB-ND1 3.35Å; F167-H248 WeakPolarHBondContact CB-ND1 3.41Å; F167-H248 HydrophobicContact CD1-CB 4.16Å; F167-H248 AromaticContact CD2-ND1 3.4Å; F167-H248 WeakPolarHBondContact CD2-ND1 3.39Å; F167-H248 HydrophobicContact CG-CB 4.02Å; F167-H248 AromaticContact CG-CG 4Å; F167-H248 AromaticContact CG-ND1 3.43Å; F167-H248 WeakPolarHBondContact CG-ND1 3.43Å; I243-H248 HydrophobicContact CD1-CB 4.26Å; I243-H248 WeakPolarHBondContact CG2-CD2 3.4Å; G245-H248 PolarHBondContact O-NE2 2.73Å; H248-W250 HydrophobicContact CB-CZ3 4.28Å; H248-Y318 CarbonylContact O-C 3.49Å; H248-Y318 WeakPolarHBondContact O-CA 3.22Å; H248-C319 PolarHBondContact N-O 2.91Å; H248-C319 PolarHBondContact O-N 3.19Å
249Y86.6Confident84.6Confident18 Ų1845.4 Ų45.47%0.07125%0.253CS..EExtended strand (participates in β ladder)trans-139.9136.8177.9176.3-101.4000111.5E251 V317 V331 R365 I368Y249-E251 HydrophobicContact CE1-CG 3.58Å; Y249-E251 WeakPolarHBondContact CE1-OE1 3.45Å; Y249-E251 VanDerWaalsContact CZ-CG 3.5Å; Y249-E251 VanDerWaalsContact OH-CD 3.24Å; Y249-E251 WeakPolarHBondContact OH-CG 3.42Å; Y249-E251 PolarHBondContact OH-OE1 2.75Å; Y249-V317 VanDerWaalsContact CA-O 3.29Å; Y249-V317 WeakPolarHBondContact CA-O 3.31Å; Y249-V317 VanDerWaalsContact CD2-O 3.24Å; Y249-V317 WeakPolarHBondContact CD2-O 3.39Å; Y249-V331 WeakPolarHBondContact OH-CG2 3.19Å; Y249-R365 WeakPolarHBondContact CD1-O 3.42Å; Y249-R365 HydrophobicContact CE1-CB 4.13Å; Y249-R365 WeakPolarHBondContact CE1-O 2.89Å; Y249-I368 HydrophobicContact CD2-CD1 4.21Å; Y249-I368 HydrophobicContact CE2-CD1 3.6Å; Y249-I368 HydrophobicContact CE2-CG1 4.11Å
250W85.6Confident84.3Confident6 Ų646.5 Ų46.52%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-144.2155.9171.86397000111.8F167 F169 I243 H248 V265 V317 C319 P350F167-W250 HydrophobicContact CD1-CE3 4.01Å; F167-W250 HydrophobicContact CD1-CZ3 4.41Å; F167-W250 HydrophobicContact CE1-CE3 4.26Å; F167-W250 HydrophobicContact CE1-CZ3 4.39Å; F169-W250 HydrophobicContact CE1-CB 3.85Å; F169-W250 HydrophobicContact CE1-CD2 4.03Å; F169-W250 AromaticContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CZ-CB 4.34Å; F169-W250 AromaticContact CZ-CD1 3.78Å; F169-W250 HydrophobicContact CZ-CD2 4.36Å; F169-W250 AromaticContact CZ-CG 3.92Å; F169-W250 HydrophobicContact CZ-CG 3.92Å; I243-W250 HydrophobicContact CD1-CH2 3.98Å; I243-W250 HydrophobicContact CD1-CZ3 3.79Å; H248-W250 HydrophobicContact CB-CZ3 4.28Å; W250-V265 HydrophobicContact CH2-CG1 3.57Å; W250-V265 HydrophobicContact CZ2-CG1 3.83Å; W250-V317 HydrophobicContact CD2-CB 3.98Å; W250-V317 HydrophobicContact CD2-CG1 4.43Å; W250-V317 HydrophobicContact CG-CB 4.44Å; W250-V317 HydrophobicContact CH2-CB 4.27Å; W250-V317 HydrophobicContact CH2-CG1 3.65Å; W250-V317 HydrophobicContact CZ2-CB 3.71Å; W250-V317 HydrophobicContact CZ2-CG1 3.32Å; W250-V317 HydrophobicContact CZ2-CG2 4.37Å; W250-V317 HydrophobicContact CZ3-CG1 4.32Å; W250-V317 PolarHBondContact N-O 3.29Å; W250-V317 PolarHBondContact O-N 2.89Å; W250-C319 HydrophobicContact CH2-CB 4.12Å; W250-C319 HydrophobicContact CZ3-CB 4Å; W250-P350 HydrophobicContact CH2-CG 4.44Å; W250-P350 HydrophobicContact CZ2-CB 4.14Å; W250-P350 HydrophobicContact CZ2-CG 4.17Å
251E88.3Confident84.3Confident11 Ų1143.2 Ų43.25%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-116.8147.2176.6-68.3-178.1-166.700111Y249 R314 I315 V331 Y362Y249-E251 HydrophobicContact CE1-CG 3.58Å; Y249-E251 WeakPolarHBondContact CE1-OE1 3.45Å; Y249-E251 VanDerWaalsContact CZ-CG 3.5Å; Y249-E251 VanDerWaalsContact OH-CD 3.24Å; Y249-E251 WeakPolarHBondContact OH-CG 3.42Å; Y249-E251 PolarHBondContact OH-OE1 2.75Å; E251-R314 WeakPolarHBondContact OE2-CD 3.49Å; E251-R314 IonicContact OE2-CZ 2.79Å; E251-R314 IonicContact OE2-NH1 3.16Å; E251-R314 PolarHBondContact OE2-NH1 2.96Å; E251-I315 CarbonylContact C-O 3.56Å; E251-I315 VanDerWaalsContact CA-O 3.29Å; E251-I315 WeakPolarHBondContact CA-O 3.26Å; E251-V331 HydrophobicContact CG-CG2 4.24Å; E251-Y362 PolarHBondContact O-N 3.2Å
252L83.7Confident84.4Confident5 Ų539.3 Ų39.33%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-132.3148.8169.260.6143.7000110.3V263 R314 I315 V317 L359L252-V263 HydrophobicContact CD1-CB 3.86Å; L252-V263 HydrophobicContact CD1-CG1 4Å; L252-V263 HydrophobicContact CD1-CG2 3.82Å; L252-V263 HydrophobicContact CD2-CB 4.26Å; L252-V263 HydrophobicContact CD2-CG1 4.19Å; L252-V263 HydrophobicContact CD2-CG2 3.49Å; L252-V263 VanDerWaalsContact CD2-CG2 3.49Å; L252-V263 HydrophobicContact CG-CG2 4.29Å; L252-R314 WeakPolarHBondContact O-CA 3.35Å; L252-I315 HydrophobicContact CD1-CD1 4.16Å; L252-I315 HydrophobicContact CD2-CB 3.9Å; L252-I315 HydrophobicContact CD2-CG2 4.13Å; L252-I315 WeakPolarHBondContact CD2-O 3.39Å; L252-I315 HydrophobicContact CG-CB 3.96Å; L252-I315 PolarHBondContact N-O 3.26Å; L252-I315 PolarHBondContact O-N 3.16Å; L252-V317 HydrophobicContact CD2-CG2 3.99Å; L252-L359 HydrophobicContact CD1-CD1 4.49Å; L252-L359 HydrophobicContact CD1-CD2 4Å
253R85.5Confident84.5Confident66 Ų6635.2 Ų35.225%0.24921%0.206CC..EExtended strand (participates in β ladder)trans-121.3120.2173.4172.2165.3-82.4164.8-14.9109.5L255 Q313 Q360 Y362R253-L255 HydrophobicContact CG-CD2 4.24Å; R253-L255 PolarHBondContact O-N 2.9Å; R253-Q313 WeakPolarHBondContact CG-O 3.38Å; R253-Q313 PolarHBondContact NE-O 2.91Å; R253-Q360 PolarHBondContact N-O 2.78Å; R253-Q360 PolarHBondContact O-N 2.7Å; R253-Y362 HydrophobicContact CB-CD2 4.08Å; R253-Y362 HydrophobicContact CB-CE2 3.85Å
254P81.8Confident84.7Confident4 Ų435.1 Ų35.13%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-60.4130.7161.1-16.131.4000109.3W258 L261 Q313 L359P254-W258 HydrophobicContact CB-CB 4.2Å; P254-W258 HydrophobicContact CB-CD2 3.82Å; P254-W258 HydrophobicContact CB-CG 3.55Å; P254-W258 HydrophobicContact CG-CD2 4.49Å; P254-L261 HydrophobicContact CB-CD2 3.93Å; P254-L261 HydrophobicContact CG-CD2 3.54Å; P254-Q313 WeakPolarHBondContact CD-O 3.4Å; P254-L359 HydrophobicContact CB-CD2 4.46Å
255L75.4Confident85.1Confident47 Ų4730.2 Ų30.225%0.24618%0.179CC..  trans-86.9178.5173.6-47.5-169.9000111.2R253 W258 V358 Q360R253-L255 HydrophobicContact CG-CD2 4.24Å; R253-L255 PolarHBondContact O-N 2.9Å; L255-W258 VanDerWaalsContact O-CD1 3.29Å; L255-W258 PolarHBondContact O-N 3.03Å; L255-V358 HydrophobicContact CB-CB 3.64Å; L255-V358 HydrophobicContact CB-CG1 4.38Å; L255-V358 HydrophobicContact CB-CG2 4.04Å; L255-V358 HydrophobicContact CD1-CB 3.4Å; L255-V358 HydrophobicContact CD1-CG1 3.17Å; L255-V358 HydrophobicContact CD1-CG2 3.84Å; L255-V358 HydrophobicContact CG-CB 3.54Å; L255-V358 HydrophobicContact CG-CG1 3.74Å; L255-V358 HydrophobicContact CG-CG2 4.28Å; L255-V358 PolarHBondContact N-O 3.34Å; L255-Q360 HydrophobicContact CD1-CB 4.25Å; L255-Q360 HydrophobicContact CD2-CB 3.59Å; L255-Q360 HydrophobicContact CG-CB 4.2Å
256A66.9Low85.5Confident80 Ų8029 Ų2966%0.66117%0.167SC*.THydrogen-bonded Turntrans-50.7142-175.500000112.5W258A256-W258 VanDerWaalsContact C-N 3.26Å; A256-W258 PolarHBondContact O-N 2.97Å
257D69.6Low86Confident125 Ų12528.7 Ų28.767%0.66816%0.159SC*.THydrogen-bonded Turntrans66.210.2175.7-54.3-40.2000117.7K259D257-K259 WeakPolarHBondContact O-CD 3.32Å; D257-K259 WeakPolarHBondContact O-CE 3.22Å; D257-K259 PolarHBondContact O-NZ 3.3Å
258W76.8Confident86.2Confident7 Ų728.9 Ų28.93%0.02715%0.149CC..  trans-53.1145.4176.176.5-88.1000112.4P254 L255 A256 L261 A288 Q290 P311P254-W258 HydrophobicContact CB-CB 4.2Å; P254-W258 HydrophobicContact CB-CD2 3.82Å; P254-W258 HydrophobicContact CB-CG 3.55Å; P254-W258 HydrophobicContact CG-CD2 4.49Å; L255-W258 VanDerWaalsContact O-CD1 3.29Å; L255-W258 PolarHBondContact O-N 3.03Å; A256-W258 VanDerWaalsContact C-N 3.26Å; A256-W258 PolarHBondContact O-N 2.97Å; W258-L261 HydrophobicContact CD2-CD2 4.21Å; W258-L261 HydrophobicContact CE3-CD2 3.71Å; W258-L261 HydrophobicContact CE3-CG 4.31Å; W258-L261 HydrophobicContact CZ3-CD2 3.87Å; W258-L261 HydrophobicContact CZ3-CG 4.17Å; W258-A288 HydrophobicContact CH2-CB 3.67Å; W258-A288 HydrophobicContact CZ3-CB 3.92Å; W258-A288 WeakPolarHBondContact CZ3-O 3.36Å; W258-Q290 HydrophobicContact CD2-CG 4.04Å; W258-Q290 HydrophobicContact CE3-CG 4.29Å; W258-Q290 HydrophobicContact CH2-CB 4.29Å; W258-Q290 HydrophobicContact CH2-CG 4.13Å; W258-Q290 HydrophobicContact CZ2-CB 4.25Å; W258-Q290 HydrophobicContact CZ2-CG 3.91Å; W258-Q290 HydrophobicContact CZ3-CG 4.34Å; W258-Q290 VanDerWaalsContact NE1-NE2 3.12Å; W258-Q290 VanDerWaalsContact O-CD 3.31Å; W258-Q290 WeakPolarHBondContact O-CG 3.12Å; W258-Q290 PolarHBondContact O-NE2 2.94Å; W258-P311 HydrophobicContact CH2-CB 3.62Å; W258-P311 HydrophobicContact CH2-CG 4.27Å; W258-P311 HydrophobicContact CZ2-CB 3.64Å
259K79.9Confident86.4Confident67 Ų6730.8 Ų30.829%0.29118%0.179SC..  trans-114.3-46.5-175.5-63.3-50-178.3-157.50113.9D257 S289 Q290 W291 T356D257-K259 WeakPolarHBondContact O-CD 3.32Å; D257-K259 WeakPolarHBondContact O-CE 3.22Å; D257-K259 PolarHBondContact O-NZ 3.3Å; K259-S289 CarbonylContact O-C 3.57Å; K259-S289 VanDerWaalsContact O-CA 3.23Å; K259-S289 WeakPolarHBondContact O-CA 3.47Å; K259-S289 PolarHBondContact O-OG 2.99Å; K259-Q290 PolarHBondContact O-N 2.79Å; K259-W291 HydrophobicContact CB-CB 4.07Å; K259-W291 HydrophobicContact CB-CG 4.38Å; K259-W291 HydrophobicContact CD-CB 4.17Å; K259-W291 HydrophobicContact CD-CG 4.19Å; K259-W291 HydrophobicContact CG-CB 4.49Å; K259-W291 HydrophobicContact CG-CG 4.43Å; K259-T356 HydrophobicContact CG-CG2 4.06Å
260S85.6Confident86.7Confident22 Ų2232.1 Ų32.115%0.15419%0.191CC..EExtended strand (participates in β ladder)trans-154.6148.3170.393.40000111A288 S355S260-A288 CarbonylContact C-O 3.59Å; S260-A288 WeakPolarHBondContact CA-O 3.36Å; S260-A288 WeakPolarHBondContact CB-O 3.32Å; S260-S355 PolarHBondContact O-N 2.76Å; S260-S355 PolarHBondContact O-OG 3.2Å; S260-S355 PolarHBondContact OG-OG 2.82Å
261L90.4Very high87Confident4 Ų432.5 Ų32.52%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-145.4157.717668.593.8000110.2P254 W258 V263 Y287 A288 I315 T353 L359P254-L261 HydrophobicContact CB-CD2 3.93Å; P254-L261 HydrophobicContact CG-CD2 3.54Å; W258-L261 HydrophobicContact CD2-CD2 4.21Å; W258-L261 HydrophobicContact CE3-CD2 3.71Å; W258-L261 HydrophobicContact CE3-CG 4.31Å; W258-L261 HydrophobicContact CZ3-CD2 3.87Å; W258-L261 HydrophobicContact CZ3-CG 4.17Å; L261-V263 HydrophobicContact CD1-CB 4.3Å; L261-V263 HydrophobicContact CD1-CG1 4.12Å; L261-Y287 WeakPolarHBondContact O-CA 3.44Å; L261-Y287 WeakPolarHBondContact O-CD2 3.45Å; L261-A288 HydrophobicContact CD1-CB 4.45Å; L261-A288 HydrophobicContact CG-CB 4.28Å; L261-A288 PolarHBondContact N-O 2.78Å; L261-A288 PolarHBondContact O-N 2.92Å; L261-I315 HydrophobicContact CD1-CD1 4.09Å; L261-T353 CarbonylContact C-O 3.57Å; L261-T353 WeakPolarHBondContact CA-O 3.46Å; L261-L359 HydrophobicContact CD2-CD2 4.09Å
262S94.1Very high87.2Confident11 Ų1133.4 Ų33.48%0.07721%0.205CC..EExtended strand (participates in β ladder)trans-125.8139.9160.2-56.20000109.2L286 F352 T353S262-L286 CarbonylContact C-O 3.5Å; S262-L286 VanDerWaalsContact CA-O 3.26Å; S262-L286 WeakPolarHBondContact CA-O 3.43Å; S262-F352 CarbonylContact O-C 3.44Å; S262-F352 WeakPolarHBondContact O-CA 3.47Å; S262-T353 PolarHBondContact N-O 2.81Å; S262-T353 PolarHBondContact O-N 3.19Å
263V95.8Very high87.7Confident0 Ų037.5 Ų37.50%022%0.22CC..EExtended strand (participates in β ladder)trans-135.5140.2175.962.30000110.8L252 L261 C285 L286 I315 V317 F328 A351 F352L252-V263 HydrophobicContact CD1-CB 3.86Å; L252-V263 HydrophobicContact CD1-CG1 4Å; L252-V263 HydrophobicContact CD1-CG2 3.82Å; L252-V263 HydrophobicContact CD2-CB 4.26Å; L252-V263 HydrophobicContact CD2-CG1 4.19Å; L252-V263 HydrophobicContact CD2-CG2 3.49Å; L252-V263 VanDerWaalsContact CD2-CG2 3.49Å; L252-V263 HydrophobicContact CG-CG2 4.29Å; L261-V263 HydrophobicContact CD1-CB 4.3Å; L261-V263 HydrophobicContact CD1-CG1 4.12Å; V263-C285 CarbonylContact O-C 3.52Å; V263-C285 WeakPolarHBondContact O-CA 3.29Å; V263-C285 VanDerWaalsContact O-CB 3.29Å; V263-C285 WeakPolarHBondContact O-CB 3.33Å; V263-L286 HydrophobicContact CG1-CB 4.31Å; V263-L286 PolarHBondContact N-O 2.84Å; V263-L286 PolarHBondContact O-N 2.97Å; V263-I315 HydrophobicContact CG1-CD1 4Å; V263-I315 HydrophobicContact CG1-CG2 4.1Å; V263-V317 HydrophobicContact CG2-CG2 4.18Å; V263-F328 HydrophobicContact CG1-CE1 4.44Å; V263-F328 VanDerWaalsContact O-CE1 3.24Å; V263-F328 WeakPolarHBondContact O-CE1 3.5Å; V263-A351 WeakPolarHBondContact CA-O 3.1Å; V263-F352 HydrophobicContact CB-CD1 4.29Å; V263-F352 HydrophobicContact CG2-CD1 3.61Å; V263-F352 HydrophobicContact CG2-CE1 3.51Å
264G96.9Very high88.1Confident0 Ų040.6 Ų40.60%024%0.236CC..EExtended strand (participates in β ladder)trans171.9-136.417300000111.3W284 A351G264-W284 CarbonylContact C-O 3.53Å; G264-W284 VanDerWaalsContact CA-O 3.3Å; G264-W284 WeakPolarHBondContact CA-O 3.46Å; G264-A351 PolarHBondContact N-O 3.17Å; G264-A351 PolarHBondContact O-N 3.19Å
265V98.2Very high88.6Confident1 Ų143.1 Ų43.11%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-134.6155-177.2-62.30000111.3W250 S283 W284 L326 L348 V349W250-V265 HydrophobicContact CH2-CG1 3.57Å; W250-V265 HydrophobicContact CZ2-CG1 3.83Å; V265-S283 WeakPolarHBondContact O-CA 3.32Å; V265-W284 HydrophobicContact CG2-CB 4.37Å; V265-W284 HydrophobicContact CG2-CE3 4.2Å; V265-W284 PolarHBondContact N-O 2.97Å; V265-W284 PolarHBondContact O-N 2.89Å; V265-L326 HydrophobicContact CG1-CD1 4.03Å; V265-L326 HydrophobicContact CG2-CD1 4.05Å; V265-L326 HydrophobicContact CG2-CD2 3.59Å; V265-L326 HydrophobicContact CG2-CG 4.43Å; V265-L348 HydrophobicContact CB-CB 4.35Å; V265-L348 HydrophobicContact CB-CD1 4.41Å; V265-L348 HydrophobicContact CB-CD2 4.12Å; V265-L348 HydrophobicContact CG2-CD1 4.05Å; V265-L348 HydrophobicContact CG2-CD2 3.9Å; V265-L348 HydrophobicContact CG2-CG 4.49Å; V265-V349 CarbonylContact C-O 3.4Å; V265-V349 WeakPolarHBondContact CA-O 3.43Å
266A97.8Very high89.6Confident0 Ų043.2 Ų43.20%025%0.248CC..EExtended strand (participates in β ladder)trans-143.7158.7176.100000112.1R268 L271 T282 L348 V349 A351A266-R268 PolarHBondContact O-N 2.84Å; A266-L271 HydrophobicContact CB-CB 4.35Å; A266-L271 HydrophobicContact CB-CD2 3.68Å; A266-L271 HydrophobicContact CB-CG 4.49Å; A266-T282 CarbonylContact C-O 3.57Å; A266-T282 VanDerWaalsContact CA-O 3.32Å; A266-T282 WeakPolarHBondContact CA-O 3.4Å; A266-L348 CarbonylContact O-C 3.55Å; A266-L348 WeakPolarHBondContact O-CA 3.3Å; A266-V349 PolarHBondContact N-O 3Å; A266-V349 WeakPolarHBondContact O-CG2 3.42Å; A266-V349 PolarHBondContact O-N 3.34Å; A266-A351 HydrophobicContact CB-CB 4.04Å
267Y97.1Very high90.9Very high16 Ų1639.8 Ų39.86%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-77.7113.1164.1-63.1-32.5000109.5G269 S270 L271 T282 W284 F344 L345 Q346 L348Y267-G269 PolarHBondContact O-N 2.91Å; Y267-S270 PolarHBondContact O-N 2.79Å; Y267-S270 VanDerWaalsContact O-N 3.08Å; Y267-L271 PolarHBondContact O-N 3.09Å; Y267-T282 HydrophobicContact CD2-CG2 4.26Å; Y267-T282 PolarHBondContact N-O 3.42Å; Y267-W284 HydrophobicContact CD1-CZ3 4.5Å; Y267-W284 HydrophobicContact CD2-CH2 4.49Å; Y267-W284 HydrophobicContact CD2-CZ3 4.49Å; Y267-W284 HydrophobicContact CE1-CH2 4.24Å; Y267-W284 HydrophobicContact CE1-CZ3 4.08Å; Y267-W284 AromaticContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CZ3 4.09Å; Y267-W284 AromaticContact CZ-CH2 3.56Å; Y267-W284 AromaticContact CZ-CZ3 3.85Å; Y267-W284 WeakPolarHBondContact OH-CH2 3.43Å; Y267-F344 HydrophobicContact CE1-CB 4.48Å; Y267-F344 VanDerWaalsContact OH-CA 3.3Å; Y267-F344 WeakPolarHBondContact OH-CA 3.47Å; Y267-L345 PolarHBondContact OH-N 2.69Å; Y267-Q346 HydrophobicContact CD1-CB 3.58Å; Y267-Q346 HydrophobicContact CD2-CB 4.36Å; Y267-Q346 HydrophobicContact CE1-CB 3.86Å; Y267-Q346 WeakPolarHBondContact CE1-O 3.25Å; Y267-Q346 HydrophobicContact CG-CB 3.87Å; Y267-Q346 HydrophobicContact CG-CG 4.47Å; Y267-L348 HydrophobicContact CD1-CD2 3.57Å; Y267-L348 HydrophobicContact CD1-CG 4.4Å; Y267-L348 HydrophobicContact CE1-CD2 3.47Å; Y267-L348 VanDerWaalsContact CE1-CD2 3.47Å; Y267-L348 HydrophobicContact CE1-CG 4.18Å
268R90.5Very high92.2Very high79 Ų7934 Ų3430%0.29819%0.188SC..G310 helixtrans-52.6-50.9-173.3-174.3178.1174.582.810.8113D172 L238 G239 E242 A266 S270 V349D172-R268 IonicContact OD2-CZ 2.64Å; D172-R268 IonicContact OD2-NH1 3.74Å; D172-R268 PolarHBondContact OD2-NH1 3.25Å; D172-R268 IonicContact OD2-NH2 3.9Å; D172-R268 PolarHBondContact OD2-NH2 3.04Å; L238-R268 HydrophobicContact CD1-CG 4.26Å; G239-R268 PolarHBondContact O-NH1 3Å; E242-R268 WeakPolarHBondContact OE1-CD 3.49Å; A266-R268 PolarHBondContact O-N 2.84Å; R268-S270 VanDerWaalsContact C-N 3.32Å; R268-S270 PolarHBondContact O-N 3.35Å; R268-V349 HydrophobicContact CB-CG1 4.03Å; R268-V349 HydrophobicContact CB-CG2 3.95Å; R268-V349 HydrophobicContact CG-CG1 4.42Å; R268-V349 HydrophobicContact CG-CG2 4.48Å
269G87.1Confident93.1Very high77 Ų7738.9 Ų38.979%0.79421%0.21SC*.G310 helixtrans-78.7-9.9-177.700000115.3Y267Y267-G269 PolarHBondContact O-N 2.91Å
270S93.1Very high93.8Very high46 Ų4636.7 Ų36.732%0.32220%0.203SC..G310 helixtrans-114.9-4.4-173.6-55.40000113.8Y267 R268 T282 Q346Y267-S270 PolarHBondContact O-N 2.79Å; Y267-S270 VanDerWaalsContact O-N 3.08Å; R268-S270 VanDerWaalsContact C-N 3.32Å; R268-S270 PolarHBondContact O-N 3.35Å; S270-T282 PolarHBondContact O-OG1 2.81Å; S270-T282 VanDerWaalsContact O-OG1 3.09Å; S270-Q346 PolarHBondContact OG-NE2 3.24Å; S270-Q346 VanDerWaalsContact OG-NE2 3.11Å; S270-Q346 PolarHBondContact OG-OE1 3.44Å
271L92.9Very high94.3Very high15 Ų1539.6 Ų39.68%0.07922%0.223CC..SBendtrans-88.4112.6174.1-173.565.5000109.1F230 L238 A266 Y267 D275 L277F230-L271 HydrophobicContact CE1-CD2 3.91Å; F230-L271 HydrophobicContact CE1-CG 4.02Å; F230-L271 HydrophobicContact CZ-CD2 3.62Å; F230-L271 HydrophobicContact CZ-CG 4.05Å; L238-L271 HydrophobicContact CD2-CD2 4.21Å; A266-L271 HydrophobicContact CB-CB 4.35Å; A266-L271 HydrophobicContact CB-CD2 3.68Å; A266-L271 HydrophobicContact CB-CG 4.49Å; Y267-L271 PolarHBondContact O-N 3.09Å; L271-D275 HydrophobicContact CD1-CB 3.7Å; L271-D275 HydrophobicContact CG-CB 4.42Å; L271-L277 HydrophobicContact CD2-CD2 3.6Å
272G92.9Very high94.6Very high29 Ų2940.4 Ų40.430%0.29923%0.229SC..  trans-66.9145.9-179.200000111.9F230 F274 D275F230-G272 WeakPolarHBondContact CE1-O 3.4Å; G272-F274 PolarHBondContact O-N 3.08Å; G272-D275 WeakPolarHBondContact CA-OD2 3.41Å; G272-D275 PolarHBondContact N-OD2 3.32Å; G272-D275 VanDerWaalsContact O-CB 3.31Å; G272-D275 WeakPolarHBondContact O-CB 3.45Å; G272-D275 PolarHBondContact O-N 2.61Å
273R93.3Very high94.8Very high91 Ų9139.9 Ų39.934%0.34323%0.225SC..THydrogen-bonded Turntrans-58.6-16.1179.161.9174.1-93.7160.5-4.5115.6G226 R229 F230 A231G226-R273 PolarHBondContact O-NH1 3.09Å; R229-R273 WeakPolarHBondContact O-CB 3.21Å; F230-R273 CarbonylContact C-O 3.58Å; F230-R273 WeakPolarHBondContact CA-O 3.3Å; F230-R273 WeakPolarHBondContact CD1-O 3.26Å; A231-R273 VanDerWaalsContact CB-NH2 3.25Å; A231-R273 PolarHBondContact N-O 2.84Å
274F93.5Very high94.9Very high131 Ų13140.2 Ų40.258%0.57523%0.226SC*.THydrogen-bonded Turntrans-108.62.2176.5-57.2-74.9000112.3A231 S234 G272A231-F274 HydrophobicContact CB-CD1 4.03Å; A231-F274 HydrophobicContact CB-CE1 3.6Å; A231-F274 HydrophobicContact CB-CZ 4.35Å; S234-F274 PolarHBondContact OG-O 2.73Å; S234-F274 VanDerWaalsContact OG-O 3.1Å; G272-F274 PolarHBondContact O-N 3.08Å
275D93.9Very high95Very high58 Ų5840.2 Ų40.231%0.3123%0.226SC..PPolyproline II helixtrans-79.1136.6177.5-67-16.2000109.1S234 L271 G272S234-D275 WeakPolarHBondContact CB-O 3.27Å; S234-D275 PolarHBondContact OG-N 2.87Å; S234-D275 PolarHBondContact OG-O 3.48Å; L271-D275 HydrophobicContact CD1-CB 3.7Å; L271-D275 HydrophobicContact CG-CB 4.42Å; G272-D275 WeakPolarHBondContact CA-OD2 3.41Å; G272-D275 PolarHBondContact N-OD2 3.32Å; G272-D275 VanDerWaalsContact O-CB 3.31Å; G272-D275 WeakPolarHBondContact O-CB 3.45Å; G272-D275 PolarHBondContact O-N 2.61Å
276Q94.5Very high95Very high49 Ų4940.2 Ų40.223%0.22923%0.226CC..PPolyproline II helixtrans-92145.8166.9-66.7172.4-22.800108.8E233 G278 K279E233-Q276 VanDerWaalsContact CB-NE2 3.28Å; E233-Q276 PolarHBondContact O-NE2 3.15Å; Q276-G278 PolarHBondContact O-N 2.81Å; Q276-K279 HydrophobicContact CB-CD 3.97Å; Q276-K279 HydrophobicContact CB-CG 4.15Å; Q276-K279 WeakPolarHBondContact O-CB 3.24Å; Q276-K279 PolarHBondContact O-N 2.93Å
277L95.9Very high94.9Very high7 Ų742.8 Ų42.84%0.03724%0.236CC..THydrogen-bonded Turntrans-56.1134.2-179.3-62.4-178.9000111.3T236 L271 K279 C285 A351 T353T236-L277 HydrophobicContact CG2-CD1 4.46Å; T236-L277 HydrophobicContact CG2-CD2 4.3Å; T236-L277 HydrophobicContact CG2-CG 4.35Å; L271-L277 HydrophobicContact CD2-CD2 3.6Å; L277-K279 VanDerWaalsContact C-N 3.28Å; L277-K279 PolarHBondContact O-N 3.38Å; L277-C285 VanDerWaalsContact C-SG 3.58Å; L277-C285 HydrophobicContact CB-CB 4.08Å; L277-A351 HydrophobicContact CD1-CB 3.83Å; L277-A351 HydrophobicContact CD2-CB 3.76Å; L277-A351 HydrophobicContact CG-CB 4.48Å; L277-T353 WeakPolarHBondContact CD1-OG1 3.29Å; L277-T353 WeakPolarHBondContact CG-OG1 3.43Å
278G96.8Very high94.7Very high3 Ų342 Ų423%0.03123%0.233CC..THydrogen-bonded Turntrans81.3-6.5-178.700000115.2Q276 S283 H300 G301 N302Q276-G278 PolarHBondContact O-N 2.81Å; G278-S283 PolarHBondContact N-OG 2.87Å; G278-H300 CarbonylContact O-C 3.59Å; G278-H300 VanDerWaalsContact O-C 3.24Å; G278-H300 WeakPolarHBondContact O-CA 3.49Å; G278-G301 PolarHBondContact O-N 3.02Å; G278-G301 VanDerWaalsContact O-N 3.16Å; G278-N302 PolarHBondContact O-N 2.82Å
279K95.2Very high94.6Very high110 Ų11038.8 Ų38.848%0.47822%0.223SC..THydrogen-bonded Turntrans-79.4-26.6174.5-72.8-165170.7171.20113.5Q276 L277 N302Q276-K279 HydrophobicContact CB-CD 3.97Å; Q276-K279 HydrophobicContact CB-CG 4.15Å; Q276-K279 WeakPolarHBondContact O-CB 3.24Å; Q276-K279 PolarHBondContact O-N 2.93Å; L277-K279 VanDerWaalsContact C-N 3.28Å; L277-K279 PolarHBondContact O-N 3.38Å; K279-N302 WeakPolarHBondContact O-CB 3.43Å; K279-N302 PolarHBondContact O-N 3.05Å; K279-N302 VanDerWaalsContact O-N 3.15Å
280S94.6Very high94.5Very high21 Ų2138.3 Ų38.315%0.14720%0.2CC..SBendtrans-103.4167.2176.768.50000111.5T282 S283 G301S280-T282 PolarHBondContact O-N 2.85Å; S280-T282 PolarHBondContact OG-N 2.78Å; S280-T282 PolarHBondContact OG-OG1 3.15Å; S280-S283 PolarHBondContact OG-OG 2.89Å; S280-G301 WeakPolarHBondContact O-CA 3.15Å; S280-G301 PolarHBondContact O-N 3.34Å
281S95.8Very high93.7Very high83 Ų8344.4 Ų44.458%0.5822%0.216SC*.THydrogen-bonded Turntrans-762.8168.458.70000113.3H300S281-H300 PolarHBondContact O-CE1 3.11Å
282T96.7Very high93Very high22 Ų2250.4 Ų50.414%0.13525%0.247CC..THydrogen-bonded Turntrans-104.36.1-175.860.70000112.4A266 Y267 S270 S280A266-T282 CarbonylContact C-O 3.57Å; A266-T282 VanDerWaalsContact CA-O 3.32Å; A266-T282 WeakPolarHBondContact CA-O 3.4Å; Y267-T282 HydrophobicContact CD2-CG2 4.26Å; Y267-T282 PolarHBondContact N-O 3.42Å; S270-T282 PolarHBondContact O-OG1 2.81Å; S270-T282 VanDerWaalsContact O-OG1 3.09Å; S280-T282 PolarHBondContact O-N 2.85Å; S280-T282 PolarHBondContact OG-N 2.78Å; S280-T282 PolarHBondContact OG-OG1 3.15Å
283S98Very high92.6Very high0 Ų057 Ų570%027%0.27CS..EExtended strand (participates in β ladder)trans-144.7148.4176.555.50000112.2V265 G278 S280 H300V265-S283 WeakPolarHBondContact O-CA 3.32Å; G278-S283 PolarHBondContact N-OG 2.87Å; S280-S283 PolarHBondContact OG-OG 2.89Å; S283-H300 PolarHBondContact O-ND1 2.99Å
284W98.6Very high92.4Very high7 Ų757 Ų573%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-131.5127.1175.5-62.7-100000107.8G264 V265 Y267 H300 L326 F340 S342 F344 L348G264-W284 CarbonylContact C-O 3.53Å; G264-W284 VanDerWaalsContact CA-O 3.3Å; G264-W284 WeakPolarHBondContact CA-O 3.46Å; V265-W284 HydrophobicContact CG2-CB 4.37Å; V265-W284 HydrophobicContact CG2-CE3 4.2Å; V265-W284 PolarHBondContact N-O 2.97Å; V265-W284 PolarHBondContact O-N 2.89Å; Y267-W284 HydrophobicContact CD1-CZ3 4.5Å; Y267-W284 HydrophobicContact CD2-CH2 4.49Å; Y267-W284 HydrophobicContact CD2-CZ3 4.49Å; Y267-W284 HydrophobicContact CE1-CH2 4.24Å; Y267-W284 HydrophobicContact CE1-CZ3 4.08Å; Y267-W284 AromaticContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CZ3 4.09Å; Y267-W284 AromaticContact CZ-CH2 3.56Å; Y267-W284 AromaticContact CZ-CZ3 3.85Å; Y267-W284 WeakPolarHBondContact OH-CH2 3.43Å; W284-H300 AromaticContact CD1-CE1 3.9Å; W284-H300 AromaticContact CD1-CG 3.45Å; W284-H300 VanDerWaalsContact CD1-CG 3.45Å; W284-H300 AromaticContact CD1-ND1 3.34Å; W284-H300 VanDerWaalsContact CD1-ND1 3.34Å; W284-H300 AromaticContact CD2-ND1 3.75Å; W284-H300 AromaticContact CE2-CE1 3.26Å; W284-H300 AromaticContact CE2-ND1 3.37Å; W284-H300 HydrophobicContact CG-CB 4.39Å; W284-H300 AromaticContact CG-ND1 3.73Å; W284-H300 AromaticContact CZ2-CE1 3.42Å; W284-H300 VanDerWaalsContact CZ2-CE1 3.42Å; W284-H300 WeakPolarHBondContact CZ2-CE1 3.41Å; W284-H300 AromaticContact CZ2-ND1 3.97Å; W284-H300 AromaticContact NE1-CD2 3.71Å; W284-H300 AromaticContact NE1-CE1 3.18Å; W284-H300 PolarHBondContact NE1-CE1 3.38Å; W284-H300 AromaticContact NE1-CG 3.43Å; W284-H300 AromaticContact NE1-ND1 3.12Å; W284-H300 PolarHBondContact NE1-ND1 3.41Å; W284-H300 VanDerWaalsContact NE1-ND1 3.12Å; W284-H300 AromaticContact NE1-NE2 3.57Å; W284-L326 HydrophobicContact CB-CD2 3.55Å; W284-L326 HydrophobicContact CG-CD2 4.37Å; W284-F340 HydrophobicContact CB-CD2 4.06Å; W284-F340 HydrophobicContact CB-CE2 4.13Å; W284-F340 HydrophobicContact CB-CG 4.47Å; W284-F340 AromaticContact CD1-CD1 3.74Å; W284-F340 AromaticContact CD1-CG 3.67Å; W284-F340 HydrophobicContact CG-CD2 4.49Å; W284-F340 HydrophobicContact CG-CG 4.42Å; W284-S342 WeakPolarHBondContact CZ2-OG 3.48Å; W284-F344 HydrophobicContact CD2-CE1 4.17Å; W284-F344 HydrophobicContact CE3-CE1 4.18Å; W284-F344 HydrophobicContact CH2-CD1 4.12Å; W284-F344 HydrophobicContact CH2-CE1 4.27Å; W284-F344 HydrophobicContact CZ2-CD1 4.38Å; W284-F344 HydrophobicContact CZ2-CE1 4.21Å; W284-F344 HydrophobicContact CZ3-CD1 4.23Å; W284-F344 HydrophobicContact CZ3-CE1 4.24Å; W284-L348 HydrophobicContact CE3-CD2 4.39Å; W284-L348 HydrophobicContact CZ3-CD2 4.06Å
285C98.3Very high92.4Very high0 Ų052.6 Ų52.60%027%0.272CS..EExtended strand (participates in β ladder)trans-147156.2-179.668.40000113.9V263 L277 K299V263-C285 CarbonylContact O-C 3.52Å; V263-C285 WeakPolarHBondContact O-CA 3.29Å; V263-C285 VanDerWaalsContact O-CB 3.29Å; V263-C285 WeakPolarHBondContact O-CB 3.33Å; L277-C285 VanDerWaalsContact C-SG 3.58Å; L277-C285 HydrophobicContact CB-CB 4.08Å; C285-K299 PolarHBondContact N-O 2.87Å; C285-K299 PolarHBondContact O-N 2.98Å
286L98.1Very high92.6Very high0 Ų050.1 Ų50.10%026%0.259CS..EExtended strand (participates in β ladder)trans-91.7123.3159.4-174.774.9000108S262 V263 L296 L307 I315 F328 L337S262-L286 CarbonylContact C-O 3.5Å; S262-L286 VanDerWaalsContact CA-O 3.26Å; S262-L286 WeakPolarHBondContact CA-O 3.43Å; V263-L286 HydrophobicContact CG1-CB 4.31Å; V263-L286 PolarHBondContact N-O 2.84Å; V263-L286 PolarHBondContact O-N 2.97Å; L286-L296 HydrophobicContact CD1-CD1 4Å; L286-L296 HydrophobicContact CD1-CD2 4.46Å; L286-L296 HydrophobicContact CD1-CG 4.05Å; L286-L296 HydrophobicContact CD2-CD1 4.1Å; L286-L296 HydrophobicContact CG-CD1 4.02Å; L286-L307 HydrophobicContact CD1-CD1 3.68Å; L286-I315 HydrophobicContact CD2-CD1 4.3Å; L286-I315 HydrophobicContact CD2-CG1 4.48Å; L286-I315 HydrophobicContact CD2-CG2 4.12Å; L286-F328 HydrophobicContact CB-CB 4.49Å; L286-F328 HydrophobicContact CB-CD1 3.54Å; L286-F328 HydrophobicContact CB-CD2 4.31Å; L286-F328 HydrophobicContact CB-CE1 3.72Å; L286-F328 HydrophobicContact CB-CE2 4.46Å; L286-F328 HydrophobicContact CB-CG 3.85Å; L286-F328 HydrophobicContact CB-CZ 4.18Å; L286-F328 HydrophobicContact CD2-CB 4.18Å; L286-F328 HydrophobicContact CD2-CD1 4.19Å; L286-F328 HydrophobicContact CD2-CG 4.36Å; L286-F328 HydrophobicContact CG-CD1 4.44Å; L286-L337 HydrophobicContact CD2-CD1 3.82Å
287Y95.8Very high92.7Very high55 Ų5548.3 Ų48.322%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-97.6134.5170.6168-101000109.7L261 S289 A295 L296 A297 K299L261-Y287 WeakPolarHBondContact O-CA 3.44Å; L261-Y287 WeakPolarHBondContact O-CD2 3.45Å; Y287-S289 WeakPolarHBondContact OH-CB 3.29Å; Y287-A295 HydrophobicContact CE1-CB 4.26Å; Y287-L296 CarbonylContact O-C 3.6Å; Y287-L296 WeakPolarHBondContact O-CA 3.48Å; Y287-A297 HydrophobicContact CD1-CB 4.34Å; Y287-A297 PolarHBondContact N-O 2.76Å; Y287-A297 PolarHBondContact O-N 3.43Å; Y287-K299 HydrophobicContact CG-CD 4.4Å
288A92.8Very high92.9Very high0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-132143.9173.800000110.4W258 S260 L261 A295 L296 P311W258-A288 HydrophobicContact CH2-CB 3.67Å; W258-A288 HydrophobicContact CZ3-CB 3.92Å; W258-A288 WeakPolarHBondContact CZ3-O 3.36Å; S260-A288 CarbonylContact C-O 3.59Å; S260-A288 WeakPolarHBondContact CA-O 3.36Å; S260-A288 WeakPolarHBondContact CB-O 3.32Å; L261-A288 HydrophobicContact CD1-CB 4.45Å; L261-A288 HydrophobicContact CG-CB 4.28Å; L261-A288 PolarHBondContact N-O 2.78Å; L261-A288 PolarHBondContact O-N 2.92Å; A288-A295 CarbonylContact C-O 3.57Å; A288-A295 WeakPolarHBondContact CA-O 3.4Å; A288-L296 HydrophobicContact CB-CD1 3.76Å; A288-P311 HydrophobicContact CB-CB 4.39Å
289S89.1Confident92.9Very high11 Ų1150.7 Ų50.78%0.07726%0.262CS..EExtended strand (participates in β ladder)trans-145.9147.6170.7-173.90000111.6K259 Y287 S294 A295 P311K259-S289 CarbonylContact O-C 3.57Å; K259-S289 VanDerWaalsContact O-CA 3.23Å; K259-S289 WeakPolarHBondContact O-CA 3.47Å; K259-S289 PolarHBondContact O-OG 2.99Å; Y287-S289 WeakPolarHBondContact OH-CB 3.29Å; S289-S294 CarbonylContact O-C 3.57Å; S289-S294 VanDerWaalsContact O-CA 3.28Å; S289-S294 WeakPolarHBondContact O-CA 3.38Å; S289-A295 PolarHBondContact N-O 2.89Å; S289-A295 PolarHBondContact O-N 2.89Å; S289-P311 WeakPolarHBondContact O-CG 3.48Å
290Q85.1Confident93.1Very high67 Ų6748 Ų4831%0.31325%0.251SS..  trans-133.517.5175.166.1173.76.600113.3W258 K259W258-Q290 HydrophobicContact CD2-CG 4.04Å; W258-Q290 HydrophobicContact CE3-CG 4.29Å; W258-Q290 HydrophobicContact CH2-CB 4.29Å; W258-Q290 HydrophobicContact CH2-CG 4.13Å; W258-Q290 HydrophobicContact CZ2-CB 4.25Å; W258-Q290 HydrophobicContact CZ2-CG 3.91Å; W258-Q290 HydrophobicContact CZ3-CG 4.34Å; W258-Q290 VanDerWaalsContact NE1-NE2 3.12Å; W258-Q290 VanDerWaalsContact O-CD 3.31Å; W258-Q290 WeakPolarHBondContact O-CG 3.12Å; W258-Q290 PolarHBondContact O-NE2 2.94Å; K259-Q290 PolarHBondContact O-N 2.79Å
291W75.9Confident93.2Very high174 Ų17448.4 Ų48.466%0.65926%0.259SS*.SBendtrans-76.6-63-171-176.139.1000114.3K259K259-W291 HydrophobicContact CB-CB 4.07Å; K259-W291 HydrophobicContact CB-CG 4.38Å; K259-W291 HydrophobicContact CD-CB 4.17Å; K259-W291 HydrophobicContact CD-CG 4.19Å; K259-W291 HydrophobicContact CG-CB 4.49Å; K259-W291 HydrophobicContact CG-CG 4.43Å
292L78.1Confident93.2Very high140 Ų14050.4 Ų50.473%0.73326%0.263SS*.SBendtrans-107.2-45.6179.6-72.3169000111.1
293Q84.4Confident93.2Very high167 Ų16759.2 Ų59.278%0.7829%0.293SS*.SBendtrans-132.3139.2172.3-69.8179.7-18.400107.6A295Q293-A295 PolarHBondContact O-N 2.89Å
294S90.4Very high93.2Very high91 Ų9162.6 Ų62.664%0.63632%0.321SS*.  trans-66.9125.5172-74.60000109S289S289-S294 CarbonylContact O-C 3.57Å; S289-S294 VanDerWaalsContact O-CA 3.28Å; S289-S294 WeakPolarHBondContact O-CA 3.38Å
295A93.4Very high93.2Very high39 Ų3968.4 Ų68.432%0.32235%0.347SS..EExtended strand (participates in β ladder)trans-136.9137.2-18000000109.9Y287 A288 S289 Q293Y287-A295 HydrophobicContact CE1-CB 4.26Å; A288-A295 CarbonylContact C-O 3.57Å; A288-A295 WeakPolarHBondContact CA-O 3.4Å; S289-A295 PolarHBondContact N-O 2.89Å; S289-A295 PolarHBondContact O-N 2.89Å; Q293-A295 PolarHBondContact O-N 2.89Å
296L96.9Very high93.2Very high7 Ų772 Ų724%0.03738%0.377CS..EExtended strand (participates in β ladder)trans-132.1132171.6-166.173.3000108.2L286 Y287 A288 L307 W309 L337L286-L296 HydrophobicContact CD1-CD1 4Å; L286-L296 HydrophobicContact CD1-CD2 4.46Å; L286-L296 HydrophobicContact CD1-CG 4.05Å; L286-L296 HydrophobicContact CD2-CD1 4.1Å; L286-L296 HydrophobicContact CG-CD1 4.02Å; Y287-L296 CarbonylContact O-C 3.6Å; Y287-L296 WeakPolarHBondContact O-CA 3.48Å; A288-L296 HydrophobicContact CB-CD1 3.76Å; L296-L307 HydrophobicContact CB-CB 4.22Å; L296-L307 HydrophobicContact CD2-CB 4.02Å; L296-L307 HydrophobicContact CD2-CD1 3.98Å; L296-L307 HydrophobicContact CG-CB 4.2Å; L296-L307 HydrophobicContact CG-CD1 4.09Å; L296-L307 PolarHBondContact O-N 2.82Å; L296-W309 HydrophobicContact CD2-CB 3.9Å; L296-L337 HydrophobicContact CD2-CD1 4.36Å; L296-L337 HydrophobicContact CD2-CD2 4Å
297A98.1Very high93.1Very high11 Ų1173 Ų739%0.09138%0.382CS..EExtended strand (participates in β ladder)trans-150.1142.4179.900000112.3Y287 K305Y287-A297 HydrophobicContact CD1-CB 4.34Å; Y287-A297 PolarHBondContact N-O 2.76Å; Y287-A297 PolarHBondContact O-N 3.43Å; A297-K305 CarbonylContact C-O 3.5Å; A297-K305 WeakPolarHBondContact CA-O 3.26Å; A297-K305 WeakPolarHBondContact CB-O 3.43Å
298A98.6Very high93.1Very high3 Ų378 Ų783%0.02541%0.413CS..EExtended strand (participates in β ladder)trans-88.3128.1166.100000109.5A304 K305 L307 H338 F340A298-A304 CarbonylContact O-C 3.57Å; A298-A304 WeakPolarHBondContact O-CA 3.4Å; A298-K305 PolarHBondContact N-O 2.92Å; A298-K305 PolarHBondContact O-N 2.93Å; A298-L307 HydrophobicContact CB-CD1 4.48Å; A298-H338 HydrophobicContact CB-CB 4.1Å; A298-H338 WeakPolarHBondContact CB-CD2 3.32Å; A298-H338 VanDerWaalsContact CB-CG 3.44Å; A298-H338 WeakPolarHBondContact CB-NE2 3.47Å; A298-F340 HydrophobicContact CB-CE1 4.41Å; A298-F340 HydrophobicContact CB-CE2 4.19Å; A298-F340 HydrophobicContact CB-CZ 3.7Å
299K98.4Very high93.1Very high56 Ų5683.4 Ų83.424%0.24343%0.433CS..EExtended strand (participates in β ladder)trans-124.9134.7-175.7-61.2-177.5173172.50112.7C285 Y287 R303 A304C285-K299 PolarHBondContact N-O 2.87Å; C285-K299 PolarHBondContact O-N 2.98Å; Y287-K299 HydrophobicContact CG-CD 4.4Å; K299-R303 VanDerWaalsContact CA-O 3.27Å; K299-R303 WeakPolarHBondContact CA-O 3.49Å; K299-A304 HydrophobicContact CG-CB 3.91Å
300H98Very high93.2Very high53 Ų5386 Ų8625%0.24545%0.449CS..EExtended strand (participates in β ladder)trans-164.2139.9174170.366.2000110.1G278 S281 S283 W284 N302 R303 F340G278-H300 CarbonylContact O-C 3.59Å; G278-H300 VanDerWaalsContact O-C 3.24Å; G278-H300 WeakPolarHBondContact O-CA 3.49Å; S281-H300 PolarHBondContact O-CE1 3.11Å; S283-H300 PolarHBondContact O-ND1 2.99Å; W284-H300 AromaticContact CD1-CE1 3.9Å; W284-H300 AromaticContact CD1-CG 3.45Å; W284-H300 VanDerWaalsContact CD1-CG 3.45Å; W284-H300 AromaticContact CD1-ND1 3.34Å; W284-H300 VanDerWaalsContact CD1-ND1 3.34Å; W284-H300 AromaticContact CD2-ND1 3.75Å; W284-H300 AromaticContact CE2-CE1 3.26Å; W284-H300 AromaticContact CE2-ND1 3.37Å; W284-H300 HydrophobicContact CG-CB 4.39Å; W284-H300 AromaticContact CG-ND1 3.73Å; W284-H300 AromaticContact CZ2-CE1 3.42Å; W284-H300 VanDerWaalsContact CZ2-CE1 3.42Å; W284-H300 WeakPolarHBondContact CZ2-CE1 3.41Å; W284-H300 AromaticContact CZ2-ND1 3.97Å; W284-H300 AromaticContact NE1-CD2 3.71Å; W284-H300 AromaticContact NE1-CE1 3.18Å; W284-H300 PolarHBondContact NE1-CE1 3.38Å; W284-H300 AromaticContact NE1-CG 3.43Å; W284-H300 AromaticContact NE1-ND1 3.12Å; W284-H300 PolarHBondContact NE1-ND1 3.41Å; W284-H300 VanDerWaalsContact NE1-ND1 3.12Å; W284-H300 AromaticContact NE1-NE2 3.57Å; H300-N302 VanDerWaalsContact C-N 3.31Å; H300-N302 PolarHBondContact O-N 3.08Å; H300-R303 PolarHBondContact N-O 2.76Å; H300-R303 WeakPolarHBondContact O-CB 3.44Å; H300-R303 PolarHBondContact O-N 3.47Å; H300-F340 HydrophobicContact CB-CD1 4.36Å; H300-F340 HydrophobicContact CB-CE1 3.71Å; H300-F340 HydrophobicContact CB-CZ 4.15Å
301G96.9Very high93.5Very high30 Ų3083.5 Ų83.531%0.30944%0.439SS..THydrogen-bonded Turntrans59.938.1171.100000114.1G278 S280 R303G278-G301 PolarHBondContact O-N 3.02Å; G278-G301 VanDerWaalsContact O-N 3.16Å; S280-G301 WeakPolarHBondContact O-CA 3.15Å; S280-G301 PolarHBondContact O-N 3.34Å; G301-R303 PolarHBondContact O-N 2.73Å
302N96.4Very high94.2Very high125 Ų12575.4 Ų75.467%0.66841%0.409SS*.THydrogen-bonded Turntrans61.918.7-174.9-159.638.3000114.1G278 K279 H300G278-N302 PolarHBondContact O-N 2.82Å; K279-N302 WeakPolarHBondContact O-CB 3.43Å; K279-N302 PolarHBondContact O-N 3.05Å; K279-N302 VanDerWaalsContact O-N 3.15Å; H300-N302 VanDerWaalsContact C-N 3.31Å; H300-N302 PolarHBondContact O-N 3.08Å
303R96.9Very high94.6Very high207 Ų20772.9 Ų72.978%0.78139%0.393SS*.EExtended strand (participates in β ladder)trans-109.8139.9172.4-61179.6179.7176.2-0.4109.1K299 H300 G301K299-R303 VanDerWaalsContact CA-O 3.27Å; K299-R303 WeakPolarHBondContact CA-O 3.49Å; H300-R303 PolarHBondContact N-O 2.76Å; H300-R303 WeakPolarHBondContact O-CB 3.44Å; H300-R303 PolarHBondContact O-N 3.47Å; G301-R303 PolarHBondContact O-N 2.73Å
304A97.8Very high94.8Very high71 Ų7167.8 Ų67.859%0.58737%0.367SS*.EExtended strand (participates in β ladder)trans-125.3123.1174.600000109.1A298 K299A298-A304 CarbonylContact O-C 3.57Å; A298-A304 WeakPolarHBondContact O-CA 3.4Å; K299-A304 HydrophobicContact CG-CB 3.91Å
305K98.1Very high94.8Very high129 Ų12963.5 Ų63.556%0.56134%0.337SS*.EExtended strand (participates in β ladder)trans-100.3110.4170.3-178.9179.1-179.7178.60108.1A297 A298 L307A297-K305 CarbonylContact C-O 3.5Å; A297-K305 WeakPolarHBondContact CA-O 3.26Å; A297-K305 WeakPolarHBondContact CB-O 3.43Å; A298-K305 PolarHBondContact N-O 2.92Å; A298-K305 PolarHBondContact O-N 2.93Å; K305-L307 HydrophobicContact CD-CD2 4.49Å; K305-L307 HydrophobicContact CG-CD2 4.4Å
306A98.1Very high94.8Very high77 Ų7761.6 Ų61.664%0.63632%0.322SS*.EExtended strand (participates in β ladder)trans-61141.7171.200000110.1
307L97.3Very high94.7Very high20 Ų2061.3 Ų61.311%0.10532%0.32CS..  trans-118.8130.4179-56.8178.5000108.4L286 L296 A298 K305 W309 L337 H338L286-L307 HydrophobicContact CD1-CD1 3.68Å; L296-L307 HydrophobicContact CB-CB 4.22Å; L296-L307 HydrophobicContact CD2-CB 4.02Å; L296-L307 HydrophobicContact CD2-CD1 3.98Å; L296-L307 HydrophobicContact CG-CB 4.2Å; L296-L307 HydrophobicContact CG-CD1 4.09Å; L296-L307 PolarHBondContact O-N 2.82Å; A298-L307 HydrophobicContact CB-CD1 4.48Å; K305-L307 HydrophobicContact CD-CD2 4.49Å; K305-L307 HydrophobicContact CG-CD2 4.4Å; L307-W309 PolarHBondContact O-N 2.96Å; L307-L337 HydrophobicContact CD1-CB 4.49Å; L307-H338 HydrophobicContact CD1-CB 4.19Å
308D93.9Very high94.5Very high160 Ų16063.7 Ų63.786%0.85633%0.327SS*.SBendtrans-82.644.2-175.9-56.4-46.7000112.1
309W92.9Very high94.3Very high114 Ų11463.6 Ų63.643%0.43233%0.326SS..SBendtrans-125.9144.1-179.1-58.1124.7000111L296 L307 L337L296-W309 HydrophobicContact CD2-CB 3.9Å; L307-W309 PolarHBondContact O-N 2.96Å; W309-L337 HydrophobicContact CB-CD2 4.13Å; W309-L337 HydrophobicContact CG-CD2 4.12Å
310P92.1Very high94Very high64 Ų6461.4 Ų61.442%0.41632%0.317SS..PPolyproline II helixtrans-63.6149.617228.8-34.7000110.1
311P90.6Very high93.8Very high16 Ų1660 Ų6010%0.10431%0.311CS..PPolyproline II helixtrans-56.1128174.6-28.335.9000113W258 A288 S289W258-P311 HydrophobicContact CH2-CB 3.62Å; W258-P311 HydrophobicContact CH2-CG 4.27Å; W258-P311 HydrophobicContact CZ2-CB 3.64Å; A288-P311 HydrophobicContact CB-CB 4.39Å; S289-P311 WeakPolarHBondContact O-CG 3.48Å
312P90.1Very high93.6Very high3 Ų364 Ų642%0.01932%0.324CS..PPolyproline II helixtrans-72.7148.6179.630.5-37.8000112.1I315 D330 L337P312-I315 HydrophobicContact CB-CG1 4.06Å; P312-I315 HydrophobicContact CG-CD1 3.93Å; P312-I315 HydrophobicContact CG-CG1 3.32Å; P312-D330 HydrophobicContact CB-CB 4.03Å; P312-L337 HydrophobicContact CG-CD1 3.94Å
313Q87.6Confident93.5Very high87 Ų8763.9 Ų63.941%0.40732%0.324SS..SBendtrans-92-4.9173.6-58.9-59.8-44.800112.7R253 P254R253-Q313 WeakPolarHBondContact CG-O 3.38Å; R253-Q313 PolarHBondContact NE-O 2.91Å; P254-Q313 WeakPolarHBondContact CD-O 3.4Å
314R89Confident93.4Very high61 Ų6154.2 Ų54.223%0.2329%0.289CS..SBendtrans-151.5116.6173.3-173.1-169.1-69.5-116.87.5108.5E251 L252 V331 D332E251-R314 WeakPolarHBondContact OE2-CD 3.49Å; E251-R314 IonicContact OE2-CZ 2.79Å; E251-R314 IonicContact OE2-NH1 3.16Å; E251-R314 PolarHBondContact OE2-NH1 2.96Å; L252-R314 WeakPolarHBondContact O-CA 3.35Å; R314-V331 HydrophobicContact CB-CB 4.23Å; R314-V331 VanDerWaalsContact CD-CB 3.46Å; R314-V331 HydrophobicContact CG-CB 3.8Å; R314-V331 HydrophobicContact CG-CG1 4.21Å; R314-V331 HydrophobicContact CG-CG2 4.24Å; R314-V331 PolarHBondContact O-N 3.29Å; R314-V331 VanDerWaalsContact O-N 3.09Å; R314-D332 WeakPolarHBondContact CB-OD2 3.34Å; R314-D332 WeakPolarHBondContact CD-OD1 3.38Å; R314-D332 IonicContact CZ-OD1 2.97Å; R314-D332 IonicContact NE-OD1 2.77Å; R314-D332 PolarHBondContact NE-OD1 2.98Å
315I90.6Very high93.4Very high0 Ų053.1 Ų53.10%027%0.272CS..EExtended strand (participates in β ladder)trans-106.7123.7-178.2-58.6160000107.9E251 L252 L261 V263 L286 P312 V317 F328 I329E251-I315 CarbonylContact C-O 3.56Å; E251-I315 VanDerWaalsContact CA-O 3.29Å; E251-I315 WeakPolarHBondContact CA-O 3.26Å; L252-I315 HydrophobicContact CD1-CD1 4.16Å; L252-I315 HydrophobicContact CD2-CB 3.9Å; L252-I315 HydrophobicContact CD2-CG2 4.13Å; L252-I315 WeakPolarHBondContact CD2-O 3.39Å; L252-I315 HydrophobicContact CG-CB 3.96Å; L252-I315 PolarHBondContact N-O 3.26Å; L252-I315 PolarHBondContact O-N 3.16Å; L261-I315 HydrophobicContact CD1-CD1 4.09Å; V263-I315 HydrophobicContact CG1-CD1 4Å; V263-I315 HydrophobicContact CG1-CG2 4.1Å; L286-I315 HydrophobicContact CD2-CD1 4.3Å; L286-I315 HydrophobicContact CD2-CG1 4.48Å; L286-I315 HydrophobicContact CD2-CG2 4.12Å; P312-I315 HydrophobicContact CB-CG1 4.06Å; P312-I315 HydrophobicContact CG-CD1 3.93Å; P312-I315 HydrophobicContact CG-CG1 3.32Å; I315-V317 HydrophobicContact CG2-CG2 4.23Å; I315-F328 HydrophobicContact CG2-CD1 4.42Å; I315-I329 CarbonylContact C-O 3.54Å; I315-I329 WeakPolarHBondContact CA-O 3.23Å
316G92.9Very high93.4Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-93135.7166.800000109.3F328 I329 V331G316-F328 WeakPolarHBondContact O-CA 3.21Å; G316-I329 PolarHBondContact N-O 2.94Å; G316-I329 PolarHBondContact O-N 3.04Å; G316-V331 VanDerWaalsContact N-CG2 3.32Å
317V94.8Very high93.4Very high0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-119.9118.9173-173.10000107.6Y249 W250 L252 V263 I315 L326 M327 F328Y249-V317 VanDerWaalsContact CA-O 3.29Å; Y249-V317 WeakPolarHBondContact CA-O 3.31Å; Y249-V317 VanDerWaalsContact CD2-O 3.24Å; Y249-V317 WeakPolarHBondContact CD2-O 3.39Å; W250-V317 HydrophobicContact CD2-CB 3.98Å; W250-V317 HydrophobicContact CD2-CG1 4.43Å; W250-V317 HydrophobicContact CG-CB 4.44Å; W250-V317 HydrophobicContact CH2-CB 4.27Å; W250-V317 HydrophobicContact CH2-CG1 3.65Å; W250-V317 HydrophobicContact CZ2-CB 3.71Å; W250-V317 HydrophobicContact CZ2-CG1 3.32Å; W250-V317 HydrophobicContact CZ2-CG2 4.37Å; W250-V317 HydrophobicContact CZ3-CG1 4.32Å; W250-V317 PolarHBondContact N-O 3.29Å; W250-V317 PolarHBondContact O-N 2.89Å; L252-V317 HydrophobicContact CD2-CG2 3.99Å; V263-V317 HydrophobicContact CG2-CG2 4.18Å; I315-V317 HydrophobicContact CG2-CG2 4.23Å; V317-L326 HydrophobicContact CG1-CD1 3.73Å; V317-M327 WeakPolarHBondContact CA-O 3.19Å; V317-F328 HydrophobicContact CG1-CE1 4.18Å; V317-F328 HydrophobicContact CG2-CD1 4.04Å; V317-F328 HydrophobicContact CG2-CE1 4.03Å
318Y94Very high93.3Very high62 Ų6243.1 Ų43.124%0.24321%0.213CC..EExtended strand (participates in β ladder)trans-110.6130173.9173.1-94.6000109.1C247 H248 D320 L326 M327C247-Y318 HydrophobicContact CB-CE2 3.89Å; C247-Y318 WeakPolarHBondContact CB-OH 3.42Å; C247-Y318 PolarHBondContact SG-OH 3.06Å; H248-Y318 CarbonylContact O-C 3.49Å; H248-Y318 WeakPolarHBondContact O-CA 3.22Å; Y318-D320 HydrophobicContact CE1-CB 3.82Å; Y318-L326 CarbonylContact O-C 3.41Å; Y318-L326 WeakPolarHBondContact O-CA 3.45Å; Y318-M327 HydrophobicContact CD1-CB 4.39Å; Y318-M327 HydrophobicContact CD1-CG 3.97Å; Y318-M327 HydrophobicContact CD1-SD 3.69Å; Y318-M327 HydrophobicContact CE1-SD 4.17Å; Y318-M327 PolarHBondContact N-O 3.16Å; Y318-M327 PolarHBondContact O-N 2.96Å
319C93.8Very high93.4Very high0 Ų035.7 Ų35.70%017%0.174CC..EExtended strand (participates in β ladder)trans-125.5112.1179.6-178.50000109.2I243 C247 H248 W250 L326I243-C319 HydrophobicContact CD1-CB 4.42Å; C247-C319 CarbonylContact C-O 3.24Å; C247-C319 WeakPolarHBondContact CA-O 3.36Å; H248-C319 PolarHBondContact N-O 2.91Å; H248-C319 PolarHBondContact O-N 3.19Å; W250-C319 HydrophobicContact CH2-CB 4.12Å; W250-C319 HydrophobicContact CZ3-CB 4Å; C319-L326 HydrophobicContact CB-CD1 4.09Å
320D92.9Very high93.4Very high10 Ų1030.4 Ų30.45%0.05315%0.154CC..EExtended strand (participates in β ladder)trans-97.299.1163.5-171.9-30000107.6Y318 D322 N323 G324 E325Y318-D320 HydrophobicContact CE1-CB 3.82Å; D320-D322 PolarHBondContact OD1-N 2.86Å; D320-N323 HydrophobicContact CB-CB 4.46Å; D320-N323 PolarHBondContact OD1-N 2.91Å; D320-N323 PolarHBondContact OD1-ND2 2.95Å; D320-N323 PolarHBondContact OD2-ND2 3.31Å; D320-G324 PolarHBondContact O-N 3.42Å; D320-E325 HydrophobicContact CB-CB 4.27Å; D320-E325 PolarHBondContact N-O 2.86Å; D320-E325 PolarHBondContact O-N 2.91Å
321H92.8Very high93.2Very high25 Ų2528.5 Ų28.512%0.11614%0.141CC..THydrogen-bonded Turntrans-67.2-41.2-176.3-178.1-79.9000111.2I243 G246 G324 Q346I243-H321 HydrophobicContact CG2-CB 3.89Å; I243-H321 PolarHBondContact O-CD2 3.46Å; G246-H321 PolarHBondContact O-N 2.78Å; H321-G324 PolarHBondContact O-N 2.85Å; H321-Q346 PolarHBondContact NE2-O 3.1Å
322D92.2Very high93Very high112 Ų11231.7 Ų31.760%0.59916%0.157SC*.THydrogen-bonded Turntrans-70.4-41.7-173.7-61.8-33000111.8G245 G246 D320G245-D322 WeakPolarHBondContact CA-OD1 3.43Å; G246-D322 VanDerWaalsContact CA-OD2 3.31Å; G246-D322 WeakPolarHBondContact CA-OD2 3.19Å; G246-D322 VanDerWaalsContact N-CG 3.31Å; G246-D322 PolarHBondContact N-OD1 3.34Å; G246-D322 PolarHBondContact N-OD2 2.92Å; D320-D322 PolarHBondContact OD1-N 2.86Å
323N94.6Very high92.9Very high123 Ų12339.6 Ų39.666%0.65819%0.187SC*.THydrogen-bonded Turntrans-88-6.5177.9-64.3-53000113.5D320D320-N323 HydrophobicContact CB-CB 4.46Å; D320-N323 PolarHBondContact OD1-N 2.91Å; D320-N323 PolarHBondContact OD1-ND2 2.95Å; D320-N323 PolarHBondContact OD2-ND2 3.31Å
324G95.8Very high92.9Very high5 Ų542.5 Ų42.55%0.05220%0.204CC..THydrogen-bonded Turntrans72.634.3176.700000113.9D320 H321 R341 S342D320-G324 PolarHBondContact O-N 3.42Å; H321-G324 PolarHBondContact O-N 2.85Å; G324-R341 CarbonylContact O-C 3.49Å; G324-R341 WeakPolarHBondContact O-CA 3.08Å; G324-S342 CarbonylContact C-O 3.58Å; G324-S342 WeakPolarHBondContact CA-O 2.92Å; G324-S342 PolarHBondContact O-N 2.82Å; G324-S342 VanDerWaalsContact O-O 3.06Å
325E96.8Very high93Very high48 Ų4842 Ų4222%0.22420%0.202CC..EExtended strand (participates in β ladder)trans-111.2130178.9-60.5-157.8136.600111.4D320 R341D320-E325 HydrophobicContact CB-CB 4.27Å; D320-E325 PolarHBondContact N-O 2.86Å; D320-E325 PolarHBondContact O-N 2.91Å; E325-R341 HydrophobicContact CG-CG 4.43Å; E325-R341 IonicContact OE1-CZ 3.23Å; E325-R341 VanDerWaalsContact OE1-CZ 3.23Å; E325-R341 IonicContact OE1-NE 2.77Å; E325-R341 PolarHBondContact OE1-NE 3.4Å; E325-R341 IonicContact OE1-NH2 2.84Å; E325-R341 PolarHBondContact OE1-NH2 3.23Å
326L98.1Very high93.2Very high0 Ų045.2 Ų45.20%022%0.219CC..EExtended strand (participates in β ladder)trans-125.2117171.4177.775.4000109.1V265 W284 V317 Y318 C319 F328 I339 F340 F344V265-L326 HydrophobicContact CG1-CD1 4.03Å; V265-L326 HydrophobicContact CG2-CD1 4.05Å; V265-L326 HydrophobicContact CG2-CD2 3.59Å; V265-L326 HydrophobicContact CG2-CG 4.43Å; W284-L326 HydrophobicContact CB-CD2 3.55Å; W284-L326 HydrophobicContact CG-CD2 4.37Å; V317-L326 HydrophobicContact CG1-CD1 3.73Å; Y318-L326 CarbonylContact O-C 3.41Å; Y318-L326 WeakPolarHBondContact O-CA 3.45Å; C319-L326 HydrophobicContact CB-CD1 4.09Å; L326-F328 HydrophobicContact CD2-CE2 3.76Å; L326-F328 HydrophobicContact CD2-CZ 3.76Å; L326-F328 HydrophobicContact CG-CE2 3.95Å; L326-F328 HydrophobicContact CG-CZ 4.11Å; L326-I339 CarbonylContact O-C 3.6Å; L326-I339 WeakPolarHBondContact O-CA 3.3Å; L326-F340 HydrophobicContact CB-CB 4.31Å; L326-F340 HydrophobicContact CD2-CD2 4.01Å; L326-F340 PolarHBondContact N-O 2.65Å; L326-F340 PolarHBondContact O-N 3.45Å; L326-F344 HydrophobicContact CB-CZ 4.11Å
327M97.8Very high93.4Very high15 Ų1545.6 Ų45.67%0.07422%0.221CC..EExtended strand (participates in β ladder)trans-114.4140.3-175.4-48.2176.361.800110.7V317 Y318 I329 L336 H338 I339 L370V317-M327 WeakPolarHBondContact CA-O 3.19Å; Y318-M327 HydrophobicContact CD1-CB 4.39Å; Y318-M327 HydrophobicContact CD1-CG 3.97Å; Y318-M327 HydrophobicContact CD1-SD 3.69Å; Y318-M327 HydrophobicContact CE1-SD 4.17Å; Y318-M327 PolarHBondContact N-O 3.16Å; Y318-M327 PolarHBondContact O-N 2.96Å; M327-I329 HydrophobicContact CB-CD1 4.09Å; M327-L336 HydrophobicContact CB-CD1 4.12Å; M327-L336 HydrophobicContact CE-CD1 3.56Å; M327-L336 HydrophobicContact CE-CD2 4.34Å; M327-H338 WeakPolarHBondContact CA-O 3.43Å; M327-I339 HydrophobicContact CB-CG1 4.45Å; M327-I339 HydrophobicContact CE-CD1 3.84Å; M327-I339 HydrophobicContact CE-CG1 4.17Å; M327-I339 HydrophobicContact CG-CD1 4.36Å; M327-I339 HydrophobicContact CG-CG1 4Å; M327-I339 HydrophobicContact CG-CG2 4.26Å; M327-L370 HydrophobicContact CE-CD1 3.8Å
328F97.2Very high93.5Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-114.1128.7172.7-64.6-83.6000109.5V263 L286 I315 G316 V317 L326 L337 H338 F340V263-F328 HydrophobicContact CG1-CE1 4.44Å; V263-F328 VanDerWaalsContact O-CE1 3.24Å; V263-F328 WeakPolarHBondContact O-CE1 3.5Å; L286-F328 HydrophobicContact CB-CB 4.49Å; L286-F328 HydrophobicContact CB-CD1 3.54Å; L286-F328 HydrophobicContact CB-CD2 4.31Å; L286-F328 HydrophobicContact CB-CE1 3.72Å; L286-F328 HydrophobicContact CB-CE2 4.46Å; L286-F328 HydrophobicContact CB-CG 3.85Å; L286-F328 HydrophobicContact CB-CZ 4.18Å; L286-F328 HydrophobicContact CD2-CB 4.18Å; L286-F328 HydrophobicContact CD2-CD1 4.19Å; L286-F328 HydrophobicContact CD2-CG 4.36Å; L286-F328 HydrophobicContact CG-CD1 4.44Å; I315-F328 HydrophobicContact CG2-CD1 4.42Å; G316-F328 WeakPolarHBondContact O-CA 3.21Å; V317-F328 HydrophobicContact CG1-CE1 4.18Å; V317-F328 HydrophobicContact CG2-CD1 4.04Å; V317-F328 HydrophobicContact CG2-CE1 4.03Å; L326-F328 HydrophobicContact CD2-CE2 3.76Å; L326-F328 HydrophobicContact CD2-CZ 3.76Å; L326-F328 HydrophobicContact CG-CE2 3.95Å; L326-F328 HydrophobicContact CG-CZ 4.11Å; F328-L337 HydrophobicContact CB-CB 4.26Å; F328-L337 WeakPolarHBondContact O-CA 3.28Å; F328-L337 WeakPolarHBondContact O-CB 3.21Å; F328-L337 PolarHBondContact O-N 2.88Å; F328-H338 HydrophobicContact CD2-CB 4.39Å; F328-H338 PolarHBondContact N-O 3.04Å; F328-H338 PolarHBondContact O-N 2.86Å; F328-F340 HydrophobicContact CD2-CD2 4.43Å; F328-F340 HydrophobicContact CD2-CE2 4.36Å; F328-F340 AromaticContact CE2-CD2 3.74Å; F328-F340 HydrophobicContact CE2-CD2 3.74Å; F328-F340 AromaticContact CE2-CE2 3.63Å; F328-F340 HydrophobicContact CE2-CE2 3.63Å
329I94.8Very high93.7Very high5 Ų546 Ų463%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-124.1135-174.9-57.398000109.7I315 G316 M327 V331 R335 L336 I368I315-I329 CarbonylContact C-O 3.54Å; I315-I329 WeakPolarHBondContact CA-O 3.23Å; G316-I329 PolarHBondContact N-O 2.94Å; G316-I329 PolarHBondContact O-N 3.04Å; M327-I329 HydrophobicContact CB-CD1 4.09Å; I329-V331 HydrophobicContact CG2-CG2 4.43Å; I329-V331 PolarHBondContact O-N 2.77Å; I329-R335 CarbonylContact C-O 3.58Å; I329-R335 WeakPolarHBondContact CA-O 3.33Å; I329-L336 HydrophobicContact CG1-CD1 4.47Å; I329-I368 HydrophobicContact CB-CD1 4.26Å; I329-I368 HydrophobicContact CD1-CD1 3.52Å; I329-I368 HydrophobicContact CG1-CD1 3.76Å; I329-I368 HydrophobicContact CG2-CD1 4.3Å
330D93.4Very high93.9Very high3 Ų347.2 Ų47.22%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-81.5101.6161179.3-11.8000107.5P312 R333 L334 R335 L337P312-D330 HydrophobicContact CB-CB 4.03Å; D330-R333 CarbonylContact O-C 3.5Å; D330-R333 PolarHBondContact O-N 3.33Å; D330-R333 PolarHBondContact OD1-N 2.68Å; D330-R333 VanDerWaalsContact OD2-CD 3.29Å; D330-R333 WeakPolarHBondContact OD2-CD 3.5Å; D330-R333 IonicContact OD2-NE 2.61Å; D330-L334 WeakPolarHBondContact O-CA 3.21Å; D330-L334 PolarHBondContact O-N 3.47Å; D330-R335 HydrophobicContact CB-CB 4.37Å; D330-R335 PolarHBondContact N-O 3.42Å; D330-R335 PolarHBondContact O-N 2.91Å; D330-R335 IonicContact OD2-CZ 2.84Å; D330-R335 IonicContact OD2-NE 2.82Å; D330-R335 IonicContact OD2-NH2 2.57Å; D330-R335 PolarHBondContact OD2-NH2 3.1Å; D330-L337 HydrophobicContact CB-CD1 4.08Å; D330-L337 HydrophobicContact CB-CD2 3.93Å; D330-L337 HydrophobicContact CB-CG 4.02Å
331V87.1Confident94.1Very high23 Ų2355.1 Ų55.114%0.13926%0.261CS..THydrogen-bonded Turntrans-73.1-38.5-1681750000111.1Y249 E251 R314 G316 I329 R333 L334Y249-V331 WeakPolarHBondContact OH-CG2 3.19Å; E251-V331 HydrophobicContact CG-CG2 4.24Å; R314-V331 HydrophobicContact CB-CB 4.23Å; R314-V331 VanDerWaalsContact CD-CB 3.46Å; R314-V331 HydrophobicContact CG-CB 3.8Å; R314-V331 HydrophobicContact CG-CG1 4.21Å; R314-V331 HydrophobicContact CG-CG2 4.24Å; R314-V331 PolarHBondContact O-N 3.29Å; R314-V331 VanDerWaalsContact O-N 3.09Å; G316-V331 VanDerWaalsContact N-CG2 3.32Å; I329-V331 HydrophobicContact CG2-CG2 4.43Å; I329-V331 PolarHBondContact O-N 2.77Å; V331-R333 PolarHBondContact O-N 3.27Å; V331-L334 WeakPolarHBondContact O-CD2 3.47Å; V331-L334 PolarHBondContact O-N 3.34Å
332D86.6Confident94.2Very high83 Ų8355.5 Ų55.544%0.44427%0.266SS..THydrogen-bonded Turntrans-66.6-26.5-179.1-65.5-32.9000111.2R314R314-D332 WeakPolarHBondContact CB-OD2 3.34Å; R314-D332 WeakPolarHBondContact CD-OD1 3.38Å; R314-D332 IonicContact CZ-OD1 2.97Å; R314-D332 IonicContact NE-OD1 2.77Å; R314-D332 PolarHBondContact NE-OD1 2.98Å
333R88.4Confident94.3Very high170 Ų17060.1 Ų60.164%0.64228%0.275SS*.THydrogen-bonded Turntrans-106.65.3177-58.9-178.6-172.5-1011114.2D330 V331 R335D330-R333 CarbonylContact O-C 3.5Å; D330-R333 PolarHBondContact O-N 3.33Å; D330-R333 PolarHBondContact OD1-N 2.68Å; D330-R333 VanDerWaalsContact OD2-CD 3.29Å; D330-R333 WeakPolarHBondContact OD2-CD 3.5Å; D330-R333 IonicContact OD2-NE 2.61Å; V331-R333 PolarHBondContact O-N 3.27Å; R333-R335 VanDerWaalsContact C-N 3.26Å; R333-R335 HydrophobicContact CB-CB 4.47Å; R333-R335 PolarHBondContact O-N 3.16Å
334L87.4Confident94.3Very high148 Ų14855 Ų5578%0.77525%0.247SC*.THydrogen-bonded Turntrans47.546.2-178.1-59.1175.9000113.4D330 V331D330-L334 WeakPolarHBondContact O-CA 3.21Å; D330-L334 PolarHBondContact O-N 3.47Å; V331-L334 WeakPolarHBondContact O-CD2 3.47Å; V331-L334 PolarHBondContact O-N 3.34Å
335R90.7Very high94.1Very high49 Ų4960.9 Ų60.919%0.18528%0.276CS..EExtended strand (participates in β ladder)trans-124.3129.2-170.9173.8177.352.3-175.9-2.2112I329 D330 R333 L337I329-R335 CarbonylContact C-O 3.58Å; I329-R335 WeakPolarHBondContact CA-O 3.33Å; D330-R335 HydrophobicContact CB-CB 4.37Å; D330-R335 PolarHBondContact N-O 3.42Å; D330-R335 PolarHBondContact O-N 2.91Å; D330-R335 IonicContact OD2-CZ 2.84Å; D330-R335 IonicContact OD2-NE 2.82Å; D330-R335 IonicContact OD2-NH2 2.57Å; D330-R335 PolarHBondContact OD2-NH2 3.1Å; R333-R335 VanDerWaalsContact C-N 3.26Å; R333-R335 HydrophobicContact CB-CB 4.47Å; R333-R335 PolarHBondContact O-N 3.16Å; R335-L337 PolarHBondContact O-N 2.98Å
336L95.9Very high94Very high69 Ų6962.1 Ų62.136%0.36128%0.282SS..EExtended strand (participates in β ladder)trans-67.7118.8169.8-179.865.3000110.6M327 I329 I339M327-L336 HydrophobicContact CB-CD1 4.12Å; M327-L336 HydrophobicContact CE-CD1 3.56Å; M327-L336 HydrophobicContact CE-CD2 4.34Å; I329-L336 HydrophobicContact CG1-CD1 4.47Å; L336-I339 HydrophobicContact CD1-CD1 4.3Å; L336-I339 HydrophobicContact CD1-CG1 3.78Å; L336-I339 HydrophobicContact CD2-CD1 3.61Å; L336-I339 HydrophobicContact CD2-CG1 3.78Å; L336-I339 HydrophobicContact CG-CG1 4.2Å
337L95.9Very high93.8Very high8 Ų864.3 Ų64.34%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-86.7-46.5177.6-62172.8000111.4L286 L296 L307 W309 P312 F328 D330 R335L286-L337 HydrophobicContact CD2-CD1 3.82Å; L296-L337 HydrophobicContact CD2-CD1 4.36Å; L296-L337 HydrophobicContact CD2-CD2 4Å; L307-L337 HydrophobicContact CD1-CB 4.49Å; W309-L337 HydrophobicContact CB-CD2 4.13Å; W309-L337 HydrophobicContact CG-CD2 4.12Å; P312-L337 HydrophobicContact CG-CD1 3.94Å; F328-L337 HydrophobicContact CB-CB 4.26Å; F328-L337 WeakPolarHBondContact O-CA 3.28Å; F328-L337 WeakPolarHBondContact O-CB 3.21Å; F328-L337 PolarHBondContact O-N 2.88Å; D330-L337 HydrophobicContact CB-CD1 4.08Å; D330-L337 HydrophobicContact CB-CD2 3.93Å; D330-L337 HydrophobicContact CB-CG 4.02Å; R335-L337 PolarHBondContact O-N 2.98Å
338H97.8Very high93.7Very high29 Ų2963.6 Ų63.613%0.13429%0.293CS..EExtended strand (participates in β ladder)trans-161.1155-178.1-165.466.6000112.7A298 L307 M327 F328 F340A298-H338 HydrophobicContact CB-CB 4.1Å; A298-H338 WeakPolarHBondContact CB-CD2 3.32Å; A298-H338 VanDerWaalsContact CB-CG 3.44Å; A298-H338 WeakPolarHBondContact CB-NE2 3.47Å; L307-H338 HydrophobicContact CD1-CB 4.19Å; M327-H338 WeakPolarHBondContact CA-O 3.43Å; F328-H338 HydrophobicContact CD2-CB 4.39Å; F328-H338 PolarHBondContact N-O 3.04Å; F328-H338 PolarHBondContact O-N 2.86Å; H338-F340 AromaticContact CD2-CD2 3.74Å; H338-F340 AromaticContact CD2-CE2 3.63Å; H338-F340 AromaticContact CD2-CZ 3.79Å; H338-F340 AromaticContact NE2-CD1 3.72Å; H338-F340 AromaticContact NE2-CE1 3.61Å; H338-F340 AromaticContact NE2-CZ 3.84Å
339I97.9Very high93.7Very high40 Ų4063.6 Ų63.621%0.20529%0.293CS..EExtended strand (participates in β ladder)trans-128.8125.9169.2-54.8-178.4000108.7L326 M327 L336 R341L326-I339 CarbonylContact O-C 3.6Å; L326-I339 WeakPolarHBondContact O-CA 3.3Å; M327-I339 HydrophobicContact CB-CG1 4.45Å; M327-I339 HydrophobicContact CE-CD1 3.84Å; M327-I339 HydrophobicContact CE-CG1 4.17Å; M327-I339 HydrophobicContact CG-CD1 4.36Å; M327-I339 HydrophobicContact CG-CG1 4Å; M327-I339 HydrophobicContact CG-CG2 4.26Å; L336-I339 HydrophobicContact CD1-CD1 4.3Å; L336-I339 HydrophobicContact CD1-CG1 3.78Å; L336-I339 HydrophobicContact CD2-CD1 3.61Å; L336-I339 HydrophobicContact CD2-CG1 3.78Å; L336-I339 HydrophobicContact CG-CG1 4.2Å; I339-R341 HydrophobicContact CG2-CG 4.06Å
340F98.3Very high93.8Very high26 Ų2663.3 Ų63.311%0.11429%0.292CS..EExtended strand (participates in β ladder)trans-92.6134.1159.3-66.1-77.7000109.6W284 A298 H300 L326 F328 H338W284-F340 HydrophobicContact CB-CD2 4.06Å; W284-F340 HydrophobicContact CB-CE2 4.13Å; W284-F340 HydrophobicContact CB-CG 4.47Å; W284-F340 AromaticContact CD1-CD1 3.74Å; W284-F340 AromaticContact CD1-CG 3.67Å; W284-F340 HydrophobicContact CG-CD2 4.49Å; W284-F340 HydrophobicContact CG-CG 4.42Å; A298-F340 HydrophobicContact CB-CE1 4.41Å; A298-F340 HydrophobicContact CB-CE2 4.19Å; A298-F340 HydrophobicContact CB-CZ 3.7Å; H300-F340 HydrophobicContact CB-CD1 4.36Å; H300-F340 HydrophobicContact CB-CE1 3.71Å; H300-F340 HydrophobicContact CB-CZ 4.15Å; L326-F340 HydrophobicContact CB-CB 4.31Å; L326-F340 HydrophobicContact CD2-CD2 4.01Å; L326-F340 PolarHBondContact N-O 2.65Å; L326-F340 PolarHBondContact O-N 3.45Å; F328-F340 HydrophobicContact CD2-CD2 4.43Å; F328-F340 HydrophobicContact CD2-CE2 4.36Å; F328-F340 AromaticContact CE2-CD2 3.74Å; F328-F340 HydrophobicContact CE2-CD2 3.74Å; F328-F340 AromaticContact CE2-CE2 3.63Å; F328-F340 HydrophobicContact CE2-CE2 3.63Å; H338-F340 AromaticContact CD2-CD2 3.74Å; H338-F340 AromaticContact CD2-CE2 3.63Å; H338-F340 AromaticContact CD2-CZ 3.79Å; H338-F340 AromaticContact NE2-CD1 3.72Å; H338-F340 AromaticContact NE2-CE1 3.61Å; H338-F340 AromaticContact NE2-CZ 3.84Å
341R97.3Very high94Very high177 Ų17763.2 Ų63.267%0.66829%0.291SS*.EExtended strand (participates in β ladder)trans-112.3110.9167.9-68.1-170.816990.39.2108.3G324 E325 I339G324-R341 CarbonylContact O-C 3.49Å; G324-R341 WeakPolarHBondContact O-CA 3.08Å; E325-R341 HydrophobicContact CG-CG 4.43Å; E325-R341 IonicContact OE1-CZ 3.23Å; E325-R341 VanDerWaalsContact OE1-CZ 3.23Å; E325-R341 IonicContact OE1-NE 2.77Å; E325-R341 PolarHBondContact OE1-NE 3.4Å; E325-R341 IonicContact OE1-NH2 2.84Å; E325-R341 PolarHBondContact OE1-NH2 3.23Å; I339-R341 HydrophobicContact CG2-CG 4.06Å
342S93.3Very high94.3Very high33 Ų3362.3 Ų62.323%0.23129%0.285CS..  trans-151.5135.5-178.1-175.80000109.6W284 G324 F344W284-S342 WeakPolarHBondContact CZ2-OG 3.48Å; G324-S342 CarbonylContact C-O 3.58Å; G324-S342 WeakPolarHBondContact CA-O 2.92Å; G324-S342 PolarHBondContact O-N 2.82Å; G324-S342 VanDerWaalsContact O-O 3.06Å; S342-F344 PolarHBondContact O-N 2.91Å
343R94.3Very high94.5Very high208 Ų20859.1 Ų59.179%0.78527%0.269SS*.  trans-68117.1170.7-172.3178.1-178.5-175.91.3109L345R343-L345 HydrophobicContact CG-CD2 3.93Å
344F95.1Very high94Very high16 Ų1651.1 Ų51.17%0.0724%0.239CC..  trans-82.8122.2176.6-56.2-59.3000110.4Y267 W284 L326 S342 L348Y267-F344 HydrophobicContact CE1-CB 4.48Å; Y267-F344 VanDerWaalsContact OH-CA 3.3Å; Y267-F344 WeakPolarHBondContact OH-CA 3.47Å; W284-F344 HydrophobicContact CD2-CE1 4.17Å; W284-F344 HydrophobicContact CE3-CE1 4.18Å; W284-F344 HydrophobicContact CH2-CD1 4.12Å; W284-F344 HydrophobicContact CH2-CE1 4.27Å; W284-F344 HydrophobicContact CZ2-CD1 4.38Å; W284-F344 HydrophobicContact CZ2-CE1 4.21Å; W284-F344 HydrophobicContact CZ3-CD1 4.23Å; W284-F344 HydrophobicContact CZ3-CE1 4.24Å; L326-F344 HydrophobicContact CB-CZ 4.11Å; S342-F344 PolarHBondContact O-N 2.91Å; F344-L348 HydrophobicContact CB-CD1 4.28Å; F344-L348 HydrophobicContact CD1-CD1 3.79Å; F344-L348 HydrophobicContact CD1-CD2 4.15Å; F344-L348 HydrophobicContact CD1-CG 4.35Å; F344-L348 HydrophobicContact CD2-CD1 3.8Å; F344-L348 HydrophobicContact CE1-CD1 4.01Å; F344-L348 HydrophobicContact CE2-CD1 4.01Å; F344-L348 HydrophobicContact CG-CD1 3.68Å; F344-L348 HydrophobicContact CG-CG 4.35Å; F344-L348 HydrophobicContact CZ-CD1 4.13Å
345L91.9Very high92.8Very high128 Ų12845.8 Ų45.867%0.6721%0.214SC*.  trans-103.2-10.5-172.6-59.7179.2000113.6Y267 R343Y267-L345 PolarHBondContact OH-N 2.69Å; R343-L345 HydrophobicContact CG-CD2 3.93Å
346Q93.9Very high90.8Very high75 Ų7545.7 Ų45.735%0.3522%0.219SC..SBendtrans-137.5162.8-179-65178.740.200109Y267 S270 H321 L348Y267-Q346 HydrophobicContact CD1-CB 3.58Å; Y267-Q346 HydrophobicContact CD2-CB 4.36Å; Y267-Q346 HydrophobicContact CE1-CB 3.86Å; Y267-Q346 WeakPolarHBondContact CE1-O 3.25Å; Y267-Q346 HydrophobicContact CG-CB 3.87Å; Y267-Q346 HydrophobicContact CG-CG 4.47Å; S270-Q346 PolarHBondContact OG-NE2 3.24Å; S270-Q346 VanDerWaalsContact OG-NE2 3.11Å; S270-Q346 PolarHBondContact OG-OE1 3.44Å; H321-Q346 PolarHBondContact NE2-O 3.1Å; Q346-L348 PolarHBondContact O-N 3.48Å
347P94.3Very high88.6Confident45 Ų4545.3 Ų45.329%0.29222%0.216SC..  trans-54.2136169.2-23.634.6000110.8E242 I243 N244E242-P347 HydrophobicContact CB-CB 4.1Å; E242-P347 HydrophobicContact CG-CB 4.37Å; I243-P347 WeakPolarHBondContact O-CA 3.49Å; N244-P347 VanDerWaalsContact OD1-CB 3.26Å; N244-P347 WeakPolarHBondContact OD1-CB 3.5Å; N244-P347 WeakPolarHBondContact OD1-CG 3.3Å
348L97.1Very high86.1Confident0 Ų046.3 Ų46.30%022%0.223CC..EExtended strand (participates in β ladder)trans-96.4149.4176.1-71.2172.1000109.9E242 I243 V265 A266 Y267 W284 F344 Q346E242-L348 CarbonylContact C-O 3.59Å; E242-L348 WeakPolarHBondContact CA-O 3.25Å; I243-L348 HydrophobicContact CB-CB 4.23Å; I243-L348 PolarHBondContact N-O 2.94Å; I243-L348 PolarHBondContact O-N 3.44Å; V265-L348 HydrophobicContact CB-CB 4.35Å; V265-L348 HydrophobicContact CB-CD1 4.41Å; V265-L348 HydrophobicContact CB-CD2 4.12Å; V265-L348 HydrophobicContact CG2-CD1 4.05Å; V265-L348 HydrophobicContact CG2-CD2 3.9Å; V265-L348 HydrophobicContact CG2-CG 4.49Å; A266-L348 CarbonylContact O-C 3.55Å; A266-L348 WeakPolarHBondContact O-CA 3.3Å; Y267-L348 HydrophobicContact CD1-CD2 3.57Å; Y267-L348 HydrophobicContact CD1-CG 4.4Å; Y267-L348 HydrophobicContact CE1-CD2 3.47Å; Y267-L348 VanDerWaalsContact CE1-CD2 3.47Å; Y267-L348 HydrophobicContact CE1-CG 4.18Å; W284-L348 HydrophobicContact CE3-CD2 4.39Å; W284-L348 HydrophobicContact CZ3-CD2 4.06Å; F344-L348 HydrophobicContact CB-CD1 4.28Å; F344-L348 HydrophobicContact CD1-CD1 3.79Å; F344-L348 HydrophobicContact CD1-CD2 4.15Å; F344-L348 HydrophobicContact CD1-CG 4.35Å; F344-L348 HydrophobicContact CD2-CD1 3.8Å; F344-L348 HydrophobicContact CE1-CD1 4.01Å; F344-L348 HydrophobicContact CE2-CD1 4.01Å; F344-L348 HydrophobicContact CG-CD1 3.68Å; F344-L348 HydrophobicContact CG-CG 4.35Å; F344-L348 HydrophobicContact CZ-CD1 4.13Å; Q346-L348 PolarHBondContact O-N 3.48Å
349V96.9Very high83.3Confident0 Ų045.1 Ų45.10%022%0.218CC..EExtended strand (participates in β ladder)trans-124.3145.7165.2-68.40000109.7L238 E242 V265 A266 R268L238-V349 HydrophobicContact CB-CG2 4.06Å; L238-V349 HydrophobicContact CD1-CG2 4.02Å; L238-V349 HydrophobicContact CD2-CG2 4.12Å; L238-V349 HydrophobicContact CG-CG2 4.26Å; E242-V349 HydrophobicContact CB-CG1 4.48Å; E242-V349 HydrophobicContact CG-CG1 3.79Å; V265-V349 CarbonylContact C-O 3.4Å; V265-V349 WeakPolarHBondContact CA-O 3.43Å; A266-V349 PolarHBondContact N-O 3Å; A266-V349 WeakPolarHBondContact O-CG2 3.42Å; A266-V349 PolarHBondContact O-N 3.34Å; R268-V349 HydrophobicContact CB-CG1 4.03Å; R268-V349 HydrophobicContact CB-CG2 3.95Å; R268-V349 HydrophobicContact CG-CG1 4.42Å; R268-V349 HydrophobicContact CG-CG2 4.48Å
350P96.9Very high80.4Confident0 Ų046.5 Ų46.50%022%0.223CC..EExtended strand (participates in β ladder)trans-53.2140.2164.5-25.735.9000110.5F167 F169 L238 G239 W250 F352F167-P350 HydrophobicContact CE1-CG 3.72Å; F167-P350 HydrophobicContact CZ-CG 4.15Å; F169-P350 HydrophobicContact CD1-CG 3.9Å; F169-P350 HydrophobicContact CD2-CB 4.14Å; F169-P350 HydrophobicContact CD2-CG 3.93Å; F169-P350 HydrophobicContact CE1-CB 4.27Å; F169-P350 HydrophobicContact CE1-CG 3.73Å; F169-P350 HydrophobicContact CE2-CB 3.63Å; F169-P350 HydrophobicContact CE2-CG 3.8Å; F169-P350 HydrophobicContact CG-CG 3.99Å; F169-P350 HydrophobicContact CZ-CB 3.7Å; F169-P350 HydrophobicContact CZ-CG 3.69Å; L238-P350 CarbonylContact C-O 3.58Å; L238-P350 WeakPolarHBondContact CA-O 3.26Å; G239-P350 PolarHBondContact N-O 3.41Å; W250-P350 HydrophobicContact CH2-CG 4.44Å; W250-P350 HydrophobicContact CZ2-CB 4.14Å; W250-P350 HydrophobicContact CZ2-CG 4.17Å; P350-F352 HydrophobicContact CB-CE2 3.59Å; P350-F352 HydrophobicContact CB-CZ 3.74Å
351A96.3Very high77.5Confident0 Ų045.9 Ų45.90%022%0.22CC..EExtended strand (participates in β ladder)trans-139.5135.5-176.700000111.2L238 V263 G264 A266 L277L238-A351 HydrophobicContact CD2-CB 3.63Å; V263-A351 WeakPolarHBondContact CA-O 3.1Å; G264-A351 PolarHBondContact N-O 3.17Å; G264-A351 PolarHBondContact O-N 3.19Å; A266-A351 HydrophobicContact CB-CB 4.04Å; L277-A351 HydrophobicContact CD1-CB 3.83Å; L277-A351 HydrophobicContact CD2-CB 3.76Å; L277-A351 HydrophobicContact CG-CB 4.48Å
352F93.8Very high74.6Confident4 Ų441.3 Ų41.32%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-136.4131-171.7-49.8-91.2000110.6F169 F171 T236 V237 S262 V263 P350 L359F169-F352 AromaticContact CE2-CE2 3.82Å; F169-F352 HydrophobicContact CE2-CE2 3.82Å; F169-F352 AromaticContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CZ-CE2 4.39Å; F169-F352 AromaticContact CZ-CZ 3.87Å; F169-F352 HydrophobicContact CZ-CZ 3.87Å; F171-F352 HydrophobicContact CD1-CD2 4.11Å; F171-F352 HydrophobicContact CD1-CE2 4.26Å; F171-F352 AromaticContact CE1-CD2 3.6Å; F171-F352 HydrophobicContact CE1-CD2 3.6Å; F171-F352 AromaticContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CG 4.12Å; F171-F352 HydrophobicContact CE1-CZ 4.26Å; T236-F352 CarbonylContact C-O 3.56Å; T236-F352 WeakPolarHBondContact CA-O 3.46Å; V237-F352 HydrophobicContact CG1-CB 4.12Å; V237-F352 PolarHBondContact N-O 3.44Å; V237-F352 PolarHBondContact O-N 3.18Å; S262-F352 CarbonylContact O-C 3.44Å; S262-F352 WeakPolarHBondContact O-CA 3.47Å; V263-F352 HydrophobicContact CB-CD1 4.29Å; V263-F352 HydrophobicContact CG2-CD1 3.61Å; V263-F352 HydrophobicContact CG2-CE1 3.51Å; P350-F352 HydrophobicContact CB-CE2 3.59Å; P350-F352 HydrophobicContact CB-CZ 3.74Å; F352-L359 HydrophobicContact CB-CD1 4.34Å; F352-L359 HydrophobicContact CD1-CD1 4.21Å
353T90.1Very high72Confident16 Ų1642.8 Ų42.810%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-115.2130.9168.8-56.70000109.1Y235 T236 L261 S262 L277Y235-T353 CarbonylContact O-C 3.52Å; Y235-T353 WeakPolarHBondContact O-CA 3.35Å; Y235-T353 WeakPolarHBondContact O-CG2 3.39Å; T236-T353 PolarHBondContact OG1-OG1 3.42Å; L261-T353 CarbonylContact C-O 3.57Å; L261-T353 WeakPolarHBondContact CA-O 3.46Å; S262-T353 PolarHBondContact N-O 2.81Å; S262-T353 PolarHBondContact O-N 3.19Å; L277-T353 WeakPolarHBondContact CD1-OG1 3.29Å; L277-T353 WeakPolarHBondContact CG-OG1 3.43Å
354V78.8Confident69Low3 Ų333.6 Ų33.62%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-129.4121-179.4-175.80000109.2L180 V187 W189 Y235 L359L180-V354 HydrophobicContact CD2-CB 4.23Å; V187-V354 HydrophobicContact CG1-CG2 4.21Å; W189-V354 HydrophobicContact CB-CG1 4.34Å; Y235-V354 VanDerWaalsContact CB-O 3.25Å; Y235-V354 WeakPolarHBondContact CB-O 3.38Å; Y235-V354 PolarHBondContact O-N 2.85Å; V354-L359 HydrophobicContact CG2-CD1 3.58Å; V354-L359 HydrophobicContact CG2-CG 4.03Å
355S62.2Low65.8Low35 Ų3540.4 Ų40.425%0.24520%0.198CC..SBendtrans-105.4-11.9179.278.40000113.9S260S260-S355 PolarHBondContact O-N 2.76Å; S260-S355 PolarHBondContact O-OG 3.2Å; S260-S355 PolarHBondContact OG-OG 2.82Å
356T48.5Very low62.8Low48 Ų4836.1 Ų36.129%0.29418%0.178SC..SBendtrans-161.9118.3165.3-40.90000109.4K259K259-T356 HydrophobicContact CG-CG2 4.06Å
357I50.5Low59.8Low60 Ų6036 Ų3631%0.30818%0.182SC..SBendtrans-14.6142.3177.6-40.4173.6000116.8T188 W189T188-I357 HydrophobicContact CG2-CG2 3.4Å; W189-I357 HydrophobicContact CB-CG1 4.4Å; W189-I357 WeakPolarHBondContact O-CD1 3.29Å; W189-I357 WeakPolarHBondContact O-CG1 3.24Å
358V42Very low56.7Low29 Ų2936.5 Ų36.518%0.17618%0.182CC..  cis-136.7150.76.3-1750000107.4T186 V187 T188 L255T186-V358 HydrophobicContact CG2-CG1 3.05Å; V187-V358 WeakPolarHBondContact O-CA 3.4Å; T188-V358 HydrophobicContact CG2-CB 4.26Å; T188-V358 HydrophobicContact CG2-CG1 3.81Å; T188-V358 HydrophobicContact CG2-CG2 4.15Å; L255-V358 HydrophobicContact CB-CB 3.64Å; L255-V358 HydrophobicContact CB-CG1 4.38Å; L255-V358 HydrophobicContact CB-CG2 4.04Å; L255-V358 HydrophobicContact CD1-CB 3.4Å; L255-V358 HydrophobicContact CD1-CG1 3.17Å; L255-V358 HydrophobicContact CD1-CG2 3.84Å; L255-V358 HydrophobicContact CG-CB 3.54Å; L255-V358 HydrophobicContact CG-CG1 3.74Å; L255-V358 HydrophobicContact CG-CG2 4.28Å; L255-V358 PolarHBondContact N-O 3.34Å
359L40.5Very low53.2Low5 Ų543.5 Ų43.53%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-108133.6164.2-70.8177.2000109.7T186 V187 L252 P254 L261 F352 V354T186-L359 WeakPolarHBondContact CA-O 3.35Å; V187-L359 PolarHBondContact N-O 2.8Å; V187-L359 PolarHBondContact O-N 3.12Å; L252-L359 HydrophobicContact CD1-CD1 4.49Å; L252-L359 HydrophobicContact CD1-CD2 4Å; P254-L359 HydrophobicContact CB-CD2 4.46Å; L261-L359 HydrophobicContact CD2-CD2 4.09Å; F352-L359 HydrophobicContact CB-CD1 4.34Å; F352-L359 HydrophobicContact CD1-CD1 4.21Å; V354-L359 HydrophobicContact CG2-CD1 3.58Å; V354-L359 HydrophobicContact CG2-CG 4.03Å
360Q36.5Very low49.9Very low69 Ų6947.3 Ų47.332%0.32224%0.235SC..EExtended strand (participates in β ladder)trans-108.5122.4165.3-178.3175.218.600109R253 L255 Y362R253-Q360 PolarHBondContact N-O 2.78Å; R253-Q360 PolarHBondContact O-N 2.7Å; L255-Q360 HydrophobicContact CD1-CB 4.25Å; L255-Q360 HydrophobicContact CD2-CB 3.59Å; L255-Q360 HydrophobicContact CG-CB 4.2Å; Q360-Y362 HydrophobicContact CB-CE2 4.21Å; Q360-Y362 HydrophobicContact CG-CD2 4.25Å; Q360-Y362 HydrophobicContact CG-CE2 3.79Å; Q360-Y362 PolarHBondContact OE1-OH 3.28Å; Q360-Y362 VanDerWaalsContact OE1-OH 3.1Å
361Q37.7Very low46.4Very low12 Ų1253.5 Ų53.56%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-75.5136.4171.6-175.4179.1-3.700109.5F169 D185F169-Q361 PolarHBondContact O-NE2 3.16Å; D185-Q361 HydrophobicContact CB-CB 3.96Å; D185-Q361 WeakPolarHBondContact O-CB 3.45Å; D185-Q361 PolarHBondContact O-N 3.22Å
362Y35.3Very low42.9Very low81 Ų8160.7 Ų60.732%0.31831%0.305SS..EExtended strand (participates in β ladder)trans-119.6132.4170.6-76.8-89.9000109E251 R253 Q360E251-Y362 PolarHBondContact O-N 3.2Å; R253-Y362 HydrophobicContact CB-CD2 4.08Å; R253-Y362 HydrophobicContact CB-CE2 3.85Å; Q360-Y362 HydrophobicContact CB-CE2 4.21Å; Q360-Y362 HydrophobicContact CG-CD2 4.25Å; Q360-Y362 HydrophobicContact CG-CE2 3.79Å; Q360-Y362 PolarHBondContact OE1-OH 3.28Å; Q360-Y362 VanDerWaalsContact OE1-OH 3.1Å
363Y38.8Very low39.6Very low64 Ų6473.8 Ų73.825%0.25136%0.356SS..  trans-86.3125.5178-66.2-83.8000111.8N79 T168 F169 D185N79-Y363 PolarHBondContact ND2-O 3.09Å; N79-Y363 VanDerWaalsContact ND2-O 3.07Å; T168-Y363 HydrophobicContact CG2-CD1 3.9Å; T168-Y363 HydrophobicContact CG2-CE1 4.06Å; F169-Y363 PolarHBondContact O-OH 3.43Å; D185-Y363 WeakPolarHBondContact OD1-CE2 3.43Å; D185-Y363 PolarHBondContact OD1-OH 2.83Å; D185-Y363 WeakPolarHBondContact OD2-CE2 3.2Å
364C31.3Very low37.1Very low16 Ų1676.7 Ų76.711%0.10837%0.369CS..  trans70.6115.5152.8-170.80000119N79 S366N79-C364 WeakPolarHBondContact ND2-CB 3.18Å; N79-C364 PolarHBondContact ND2-O 3.19Å; N79-C364 WeakPolarHBondContact OD1-CB 2.9Å; N79-C364 PolarHBondContact OD1-SG 2.57Å; C364-S366 PolarHBondContact SG-N 3.43Å; C364-S366 VanDerWaalsContact SG-N 3.37Å; C364-S366 PolarHBondContact SG-OG 3.22Å
365R29.5Very low34.9Very low159 Ų15980.5 Ų80.560%0.639%0.388SS*.  trans-12792.8130.7-83-170.8176.6-152.1-0.5106.5Y249 T367Y249-R365 WeakPolarHBondContact CD1-O 3.42Å; Y249-R365 HydrophobicContact CE1-CB 4.13Å; Y249-R365 WeakPolarHBondContact CE1-O 2.89Å; R365-T367 PolarHBondContact O-N 2.96Å
366S27.8Very low33.4Very low37 Ų3783.1 Ų83.126%0.25940%0.395SS..  trans-72.380.2170-59.90000107.6D78 C364D78-S366 PolarHBondContact N-O 2.89Å; D78-S366 VanDerWaalsContact N-O 3.14Å; D78-S366 VanDerWaalsContact OD1-C 3.31Å; C364-S366 PolarHBondContact SG-N 3.43Å; C364-S366 VanDerWaalsContact SG-N 3.37Å; C364-S366 PolarHBondContact SG-OG 3.22Å
367T31Very low32.5Very low72 Ų7285.1 Ų85.144%0.44240%0.401SS..  trans150.9106.2159.7-59.40000108.1D78 R365 E369D78-T367 WeakPolarHBondContact OD1-CB 3.34Å; D78-T367 PolarHBondContact OD1-N 2.99Å; R365-T367 PolarHBondContact O-N 2.96Å; T367-E369 HydrophobicContact CG2-CG 4.2Å; T367-E369 PolarHBondContact O-N 3.07Å
368I28.9Very low31.4Very low56 Ų5686.7 Ų86.729%0.28741%0.407SS..  trans-81.5104.6151.8-59.6179.4000104.2Y249 I329 L370Y249-I368 HydrophobicContact CD2-CD1 4.21Å; Y249-I368 HydrophobicContact CE2-CD1 3.6Å; Y249-I368 HydrophobicContact CE2-CG1 4.11Å; I329-I368 HydrophobicContact CB-CD1 4.26Å; I329-I368 HydrophobicContact CD1-CD1 3.52Å; I329-I368 HydrophobicContact CG1-CD1 3.76Å; I329-I368 HydrophobicContact CG2-CD1 4.3Å; I368-L370 HydrophobicContact CB-CG 4.46Å; I368-L370 HydrophobicContact CG2-CB 4.46Å; I368-L370 HydrophobicContact CG2-CD2 3.74Å; I368-L370 HydrophobicContact CG2-CG 3.68Å; I368-L370 PolarHBondContact O-N 3.02Å
369E24.9Very low30.7Very low147 Ų14790.5 Ų90.569%0.68742%0.423SS*.  trans-64.692.7152.9-91-173.8168.300105.1T367 L371T367-E369 HydrophobicContact CG2-CG 4.2Å; T367-E369 PolarHBondContact O-N 3.07Å; E369-L371 VanDerWaalsContact C-N 3.25Å; E369-L371 PolarHBondContact O-N 2.78Å
370L26.6Very low30Very low81 Ų8196.6 Ų96.642%0.42445%0.451SS..  trans-64.7100.5165.4-75165.6000104.4M327 I368 L372M327-L370 HydrophobicContact CE-CD1 3.8Å; I368-L370 HydrophobicContact CB-CG 4.46Å; I368-L370 HydrophobicContact CG2-CB 4.46Å; I368-L370 HydrophobicContact CG2-CD2 3.74Å; I368-L370 HydrophobicContact CG2-CG 3.68Å; I368-L370 PolarHBondContact O-N 3.02Å; L370-L372 HydrophobicContact CB-CG 4.1Å; L370-L372 PolarHBondContact O-N 2.83Å
371L23.1Very low29.5Very low129 Ų12998.8 Ų98.868%0.67546%0.461SS*.  trans-64.778.4158.2-66.9173000106.3E369 Y373E369-L371 VanDerWaalsContact C-N 3.25Å; E369-L371 PolarHBondContact O-N 2.78Å; L371-Y373 VanDerWaalsContact C-N 3.35Å; L371-Y373 HydrophobicContact CB-CE2 4.31Å; L371-Y373 PolarHBondContact O-N 3.33Å
372L22.3Very low28.8Very low151 Ų151106 Ų10679%0.79150%0.495SS*.  trans-69.2100.9159.6-65.3171.5000104.6L370L370-L372 HydrophobicContact CB-CG 4.1Å; L370-L372 PolarHBondContact O-N 2.83Å
373Y26.1Very low28.2Very low279 Ų279108.3 Ų108.3100%1.09451%0.511SS*.  trans-70.50160.4-73.8-80000109.8L371L371-Y373 VanDerWaalsContact C-N 3.35Å; L371-Y373 HydrophobicContact CB-CE2 4.31Å; L371-Y373 PolarHBondContact O-N 3.33Å

Retrieved 373 of 373 residues in 228.6 ms (Link to these results)